3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid

C16H14Cl2O3 — CID 82051730

IUPAC3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2O3/c17-14-7-3-12(9-15(14)18)10-21-13-5-1-11(2-6-13)4-8-16(19)20/h1-3,5-7,9H,4,8,10H2,(H,19,20)
InChIKeyHVFYRSJDDASPMB-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.59
Rot. Bonds6

About 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid

3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid (PubChem CID 82051730) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
PubChem CID82051730
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2O3/c17-14-7-3-12(9-15(14)18)10-21-13-5-1-11(2-6-13)4-8-16(19)20/h1-3,5-7,9H,4,8,10H2,(H,19,20)
InChIKeyHVFYRSJDDASPMB-UHFFFAOYSA-N
XLogP4.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2764449
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4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
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1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
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3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
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[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
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(2R)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid (CID 82051730) is 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid?
The InChIKey is HVFYRSJDDASPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c17-14-7-3-12(9-15(14)18)10-21-13-5-1-11(2-6-13)4-8-16(19)20/h1-3,5-7,9H,4,8,10H2,(H,19,20).
What are the key properties of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid?
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid has a molecular weight of 325.19 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 82051730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).