2-(4-phenoxyphenyl)propanoic acid

C15H14O3 — CID 527817

IUPAC2-(4-phenoxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-11(15(16)17)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
InChIKeyCQWOKJLMSWMOCJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-phenoxyphenyl)propanoic acid

2-(4-phenoxyphenyl)propanoic acid (PubChem CID 527817) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)propanoic acid
PubChem CID527817
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-(4-phenoxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-11(15(16)17)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
InChIKeyCQWOKJLMSWMOCJ-UHFFFAOYSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid
CID 142868325
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
CID 82305907
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-phenoxyphenyl)propanoic acid (CID 527817) is 2-(4-phenoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-phenoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-phenoxyphenyl)propanoic acid is CC(C(=O)O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenyl)propanoic acid?
The InChIKey is CQWOKJLMSWMOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11(15(16)17)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17).
What are the key properties of 2-(4-phenoxyphenyl)propanoic acid?
2-(4-phenoxyphenyl)propanoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)propanoic acid is sourced from PubChem (CID 527817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).