3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid

C15H12O5 — CID 129189954

IUPAC3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
SMILESCc1c(OC(=O)c2ccccc2O)cccc1C(=O)O
InChIInChI=1S/C15H12O5/c1-9-10(14(17)18)6-4-8-13(9)20-15(19)11-5-2-3-7-12(11)16/h2-8,16H,1H3,(H,17,18)
InChIKeyOGUSKIHMIIQXPY-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.62
Rot. Bonds3

About 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid

3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid (PubChem CID 129189954) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
PubChem CID129189954
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
SMILESCc1c(OC(=O)c2ccccc2O)cccc1C(=O)O
InChIInChI=1S/C15H12O5/c1-9-10(14(17)18)6-4-8-13(9)20-15(19)11-5-2-3-7-12(11)16/h2-8,16H,1H3,(H,17,18)
InChIKeyOGUSKIHMIIQXPY-UHFFFAOYSA-N
XLogP2.62
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyloxy-2-methylbenzoic acid
CID 3798557
3-acetyloxy-2-methylbenzoic acid;hydrochloride
CID 172770028
2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
CID 56975164
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
(2-methylphenyl) 2,3-dihydroxybenzoate
CID 69026633
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
2-[2-[2-[2-(2-hydroxybenzoyl)oxyphenyl]acetyl]oxybenzoyl]oxybenzoic acid
CID 123849287
2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 69362108
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
sodium 2-(2-hydroxybenzoyl)oxybenzoate
CID 23662396
2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxybenzoyl)oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxy-4-oxobutanoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoic acid
CID 174418504
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid?
The IUPAC name of 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid (CID 129189954) is 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid.
What is the SMILES notation for 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid?
The canonical SMILES for 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid is Cc1c(OC(=O)c2ccccc2O)cccc1C(=O)O.
What is the InChIKey of 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid?
The InChIKey is OGUSKIHMIIQXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-9-10(14(17)18)6-4-8-13(9)20-15(19)11-5-2-3-7-12(11)16/h2-8,16H,1H3,(H,17,18).
What are the key properties of 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid?
3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid is sourced from PubChem (CID 129189954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).