2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid

C15H12O5 — CID 56975164

IUPAC2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
SMILESCc1cccc(C(=O)Oc2ccccc2C(=O)O)c1O
InChIInChI=1S/C15H12O5/c1-9-5-4-7-11(13(9)16)15(19)20-12-8-3-2-6-10(12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyCGSFGYGUVOFHDA-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid

2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid (PubChem CID 56975164) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
PubChem CID56975164
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
SMILESCc1cccc(C(=O)Oc2ccccc2C(=O)O)c1O
InChIInChI=1S/C15H12O5/c1-9-5-4-7-11(13(9)16)15(19)20-12-8-3-2-6-10(12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyCGSFGYGUVOFHDA-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'}

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Related Compounds

(2-methylphenyl) 2,3-dihydroxybenzoate
CID 69026633
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
CID 129189954
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6424489
(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001
2-phenylethyl 2-hydroxy-3-methylbenzoate
CID 15349136
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid?
The IUPAC name of 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid (CID 56975164) is 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid.
What is the SMILES notation for 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid?
The canonical SMILES for 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid is Cc1cccc(C(=O)Oc2ccccc2C(=O)O)c1O.
What is the InChIKey of 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid?
The InChIKey is CGSFGYGUVOFHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-9-5-4-7-11(13(9)16)15(19)20-12-8-3-2-6-10(12)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid?
2-(2-hydroxy-3-methylbenzoyl)oxybenzoic 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 2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid is sourced from PubChem (CID 56975164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).