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ZINC02984806,,, :Molecular Weight314.41864 [g/mol]Molecular FormulaC

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摘 要:ZINC02984806,,, :Molecular Weight314.41864 [g/mol]Molecular FormulaC20H26O3XLogP5.5H-Bond Donor0H-Bond Acceptor3Rotatable Bond Count9Exact Mass314.188195MonoIsotopic Mass314.188195Topological Polar Surface Area27.7Heavy Atom Count23Formal Charge0Co
[Synonyms]
ZINC02984806


Properties Computed from Structure:Molecular Weight314.41864 [g/mol]Molecular FormulaC20H26O3XLogP5.5H-Bond Donor0H-Bond Acceptor3Rotatable Bond Count9Exact Mass314.188195MonoIsotopic Mass314.188195Topological Polar Surface Area27.7Heavy Atom Count23Formal Charge0Complexity297Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 1-[3-(2-ethoxyphenoxy)propoxy]-4-propan-2-ylbenzene
Canonical SMILES: CCOC1=CC=CC=C1OCCCOC2=CC=C(C=C2)C(C)C
InChI: InChI=1/C20H26O3/c1-4-21-19-8-5-6-9-20(19)23-15-7-14-22-18-12-10-17(11-
13-18)16(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3


Compound Info:CID: 2283885  Create Date: 2005-07-15

Similar Compounds: 841 Links


Substance Info:Substances: 5 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 8993258 - External ID: 2283885

Substance Vendors: 3 Links
   ChemBridge ( 1 )
SID: 3471535 - External ID: 6447562
   ChemSpider ( 1 )
SID: 29783566 - External ID: 1707386
   ZINC ( 1 )
SID: 2695765 - External ID: ZINC02984806

Theoretical Properties: 2 Links
   ChemDB ( 1 )
SID: 5501123 - External ID: 4371503
   ZINC ( 1 )
SID: 2695765 - External ID: ZINC02984806

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2283885Molecular Weight314.41864 [g/mol]Molecular FormulaC20H26O3XLogP5.5H-Bond Donor0H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]
ZINC02984806,,,   :Molecular Weight314.41864 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight314.41864 [g/mol]
Molecular FormulaC20H26O3
XLogP5.5
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count9
Exact Mass314.188195
MonoIsotopic Mass314.188195
Topological Polar Surface Area27.7
Heavy Atom Count23
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-[3-(2-ethoxyphenoxy)propoxy]-4-propan-2-ylbenzene
Canonical SMILES: CCOC1=CC=CC=C1OCCCOC2=CC=C(C=C2)C(C)C
InChI: InChI=1/C20H26O3/c1-4-21-19-8-5-6-9-20(19)23-15-7-14-22-18-12-10-17(11-
13-18)16(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3

 
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