2-hydroxy-5-(2-oxopropyl)benzoic acid

C10H10O4 — CID 24721592

IUPAC2-hydroxy-5-(2-oxopropyl)benzoic acid
SMILESCC(=O)Cc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H10O4/c1-6(11)4-7-2-3-9(12)8(5-7)10(13)14/h2-3,5,12H,4H2,1H3,(H,13,14)
InChIKeyPXSIJBKXPKQOJH-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.22
Rot. Bonds3

About 2-hydroxy-5-(2-oxopropyl)benzoic acid

2-hydroxy-5-(2-oxopropyl)benzoic acid (PubChem CID 24721592) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-hydroxy-5-(2-oxopropyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(2-oxopropyl)benzoic acid
PubChem CID24721592
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-hydroxy-5-(2-oxopropyl)benzoic acid
SMILESCC(=O)Cc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H10O4/c1-6(11)4-7-2-3-9(12)8(5-7)10(13)14/h2-3,5,12H,4H2,1H3,(H,13,14)
InChIKeyPXSIJBKXPKQOJH-UHFFFAOYSA-N
XLogP1.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate
CID 143701810
5-(3-carboxybut-2-enyl)-2-hydroxybenzoic acid
CID 67786096
5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid
CID 117222104
2-hydroxy-5-(sulfomethyl)benzoic acid
CID 87910022
2-hydroxy-5-(2-oxopropyl)benzaldehyde
CID 130776393
5-[(3,4-ditert-butylphenyl)methyl]-2-hydroxybenzoic acid
CID 57308275
2,5-dihydroxybenzoic acid;methanol
CID 174970806
5-[(2S)-2-amino-2-carboxypropyl]-2-hydroxybenzoic acid;dihydrate;hydrochloride
CID 70604204
2-hydroxy-5-(10-methylundecyl)benzoic acid
CID 22256247
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
2-methyl-5-(2-oxopropyl)pyridine-3-carboxylic acid
CID 174862227
2-hydroxy-5-[(10Z,13Z,16Z)-2-oxononadeca-10,13,16-trienyl]benzoic acid
CID 159571595

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-oxopropyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(2-oxopropyl)benzoic acid (CID 24721592) is 2-hydroxy-5-(2-oxopropyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(2-oxopropyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(2-oxopropyl)benzoic acid is CC(=O)Cc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(2-oxopropyl)benzoic acid?
The InChIKey is PXSIJBKXPKQOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-6(11)4-7-2-3-9(12)8(5-7)10(13)14/h2-3,5,12H,4H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-5-(2-oxopropyl)benzoic acid?
2-hydroxy-5-(2-oxopropyl)benzoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-oxopropyl)benzoic acid is sourced from PubChem (CID 24721592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).