3-(3-hydroxyphenyl)-2-phenylpropanoic acid

C15H14O3 — CID 75532125

IUPAC3-(3-hydroxyphenyl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H14O3/c16-13-8-4-5-11(9-13)10-14(15(17)18)12-6-2-1-3-7-12/h1-9,14,16H,10H2,(H,17,18)
InChIKeyFBLXBLMCMACDSZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.80
Rot. Bonds4

About 3-(3-hydroxyphenyl)-2-phenylpropanoic acid

3-(3-hydroxyphenyl)-2-phenylpropanoic acid (PubChem CID 75532125) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-phenylpropanoic acid
PubChem CID75532125
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-(3-hydroxyphenyl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H14O3/c16-13-8-4-5-11(9-13)10-14(15(17)18)12-6-2-1-3-7-12/h1-9,14,16H,10H2,(H,17,18)
InChIKeyFBLXBLMCMACDSZ-UHFFFAOYSA-N
XLogP2.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 124549291
(2S)-2,3-diphenylpropanoic acid
CID 737125
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956089
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one
CID 88838543
2,4-bis(2-hydroxyphenyl)-1,5-bis(3-hydroxyphenyl)pentan-3-one
CID 175303137
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
CID 83955823
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-2-phenylpropanoic acid (CID 75532125) is 3-(3-hydroxyphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-phenylpropanoic acid is O=C(O)C(Cc1cccc(O)c1)c1ccccc1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-phenylpropanoic acid?
The InChIKey is FBLXBLMCMACDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-13-8-4-5-11(9-13)10-14(15(17)18)12-6-2-1-3-7-12/h1-9,14,16H,10H2,(H,17,18).
What are the key properties of 3-(3-hydroxyphenyl)-2-phenylpropanoic acid?
3-(3-hydroxyphenyl)-2-phenylpropanoic acid has a molecular weight of 242.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 75532125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).