3-(5-benzoyl-2-hydroxyphenyl)propanoic acid

C16H14O4 — CID 14089152

IUPAC3-(5-benzoyl-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cc(C(=O)c2ccccc2)ccc1O
InChIInChI=1S/C16H14O4/c17-14-8-6-13(10-12(14)7-9-15(18)19)16(20)11-4-2-1-3-5-11/h1-6,8,10,17H,7,9H2,(H,18,19)
InChIKeyVLGKIXSYCYDAKI-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.64
Rot. Bonds5

About 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid

3-(5-benzoyl-2-hydroxyphenyl)propanoic acid (PubChem CID 14089152) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-benzoyl-2-hydroxyphenyl)propanoic acid
PubChem CID14089152
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3-(5-benzoyl-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cc(C(=O)c2ccccc2)ccc1O
InChIInChI=1S/C16H14O4/c17-14-8-6-13(10-12(14)7-9-15(18)19)16(20)11-4-2-1-3-5-11/h1-6,8,10,17H,7,9H2,(H,18,19)
InChIKeyVLGKIXSYCYDAKI-UHFFFAOYSA-N
XLogP2.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-carboxyethyl)-4-hydroxybenzoyl]benzoic acid
CID 14739656
3-[2-hydroxy-5-(4-methoxycarbonylbenzoyl)phenyl]propanoic acid
CID 19922000
3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84668107
[4-hydroxy-3-(hydroxymethyl)phenyl]-(3-methylphenyl)methanone
CID 71390287
3-(4-benzoylphenyl)-3-oxopropanoic acid
CID 170886863
diphenylmethanone
CID 3102
bis[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]methanone
CID 139631724
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 102344252
2-(3-benzoyl-4-hydroxyphenyl)acetic acid
CID 91883998
3-[2-(6-bromohexyl)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid
CID 19921954
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid (CID 14089152) is 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid is O=C(O)CCc1cc(C(=O)c2ccccc2)ccc1O.
What is the InChIKey of 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid?
The InChIKey is VLGKIXSYCYDAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-14-8-6-13(10-12(14)7-9-15(18)19)16(20)11-4-2-1-3-5-11/h1-6,8,10,17H,7,9H2,(H,18,19).
What are the key properties of 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid?
3-(5-benzoyl-2-hydroxyphenyl)propanoic acid has a molecular weight of 270.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzoyl-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 14089152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).