3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid

C16H16O4 — CID 22680594

IUPAC3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H16O4/c1-20-13-8-7-12(15(17)10-13)9-14(16(18)19)11-5-3-2-4-6-11/h2-8,10,14,17H,9H2,1H3,(H,18,19)
InChIKeySCUAVUWUMHURQK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.81
Rot. Bonds5

About 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid

3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid (PubChem CID 22680594) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
PubChem CID22680594
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H16O4/c1-20-13-8-7-12(15(17)10-13)9-14(16(18)19)11-5-3-2-4-6-11/h2-8,10,14,17H,9H2,1H3,(H,18,19)
InChIKeySCUAVUWUMHURQK-UHFFFAOYSA-N
XLogP2.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22687405
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid
CID 22683722
3-(2-hexoxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22685773
3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 71744426
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269
2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 61499464
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
CID 79430808
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid (CID 22680594) is 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid is COc1ccc(CC(C(=O)O)c2ccccc2)c(O)c1.
What is the InChIKey of 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid?
The InChIKey is SCUAVUWUMHURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-20-13-8-7-12(15(17)10-13)9-14(16(18)19)11-5-3-2-4-6-11/h2-8,10,14,17H,9H2,1H3,(H,18,19).
What are the key properties of 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid?
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 22680594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).