2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid

C16H16O3 — CID 83955052

IUPAC2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2cccc(O)c2)cc1
InChIInChI=1S/C16H16O3/c1-11-5-7-12(8-6-11)9-15(16(18)19)13-3-2-4-14(17)10-13/h2-8,10,15,17H,9H2,1H3,(H,18,19)
InChIKeyQHZAAYUWNVWGCA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.11
Rot. Bonds4

About 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid

2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid (PubChem CID 83955052) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
PubChem CID83955052
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2cccc(O)c2)cc1
InChIInChI=1S/C16H16O3/c1-11-5-7-12(8-6-11)9-15(16(18)19)13-3-2-4-14(17)10-13/h2-8,10,15,17H,9H2,1H3,(H,18,19)
InChIKeyQHZAAYUWNVWGCA-UHFFFAOYSA-N
XLogP3.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
CID 83955823
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 84746836
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
2-(3-bromophenyl)-3-(4-ethylphenyl)propanoic acid
CID 79441100
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
(2S)-2,3-diphenylpropanoic acid
CID 737125
3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956089

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid (CID 83955052) is 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid is Cc1ccc(CC(C(=O)O)c2cccc(O)c2)cc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid?
The InChIKey is QHZAAYUWNVWGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-5-7-12(8-6-11)9-15(16(18)19)13-3-2-4-14(17)10-13/h2-8,10,15,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid?
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 83955052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).