2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid

C15H12O6 — CID 74015882

IUPAC2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid
SMILESCc1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1
InChIInChI=1S/C15H12O6/c1-7-5-10(17)13(11(18)6-7)14(19)12-8(15(20)21)3-2-4-9(12)16/h2-6,16-18H,1H3,(H,20,21)
InChIKeyKNXAGUANLPVZSV-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.04
Rot. Bonds3

About 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid

2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid (PubChem CID 74015882) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid
PubChem CID74015882
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid
SMILESCc1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1
InChIInChI=1S/C15H12O6/c1-7-5-10(17)13(11(18)6-7)14(19)12-8(15(20)21)3-2-4-9(12)16/h2-6,16-18H,1H3,(H,20,21)
InChIKeyKNXAGUANLPVZSV-UHFFFAOYSA-N
XLogP2.04
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[2-(2,6-dihydroxybenzoyl)-3-hydroxy-5-methylphenyl]-2-oxoethyl]-6-hydroxy-4-methylphenoxy]-6-methoxybenzoic acid
CID 134814411
2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid
CID 154572941
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
ethane;3-hydroxy-2,5-dimethylbenzoic acid
CID 142823767
2-ethenoxycarbonyl-3-hydroxybenzoic acid
CID 54475274
2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid
CID 70637233
2-acetyl-3-methylbenzoic acid
CID 23423450
(2-ethyl-6-hydroxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 157171330
phthalic acid;toluene
CID 174855044
potassium;benzene-1,2,3-tricarboxylic acid;hydride
CID 174768168
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
barium(2+);benzene-1,2,3-tricarboxylic acid;hydride
CID 174613618

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid?
The IUPAC name of 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid (CID 74015882) is 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid.
What is the SMILES notation for 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid?
The canonical SMILES for 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid is Cc1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1.
What is the InChIKey of 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid?
The InChIKey is KNXAGUANLPVZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-7-5-10(17)13(11(18)6-7)14(19)12-8(15(20)21)3-2-4-9(12)16/h2-6,16-18H,1H3,(H,20,21).
What are the key properties of 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid?
2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid has a molecular weight of 288.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid is sourced from PubChem (CID 74015882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).