2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid

C15H11ClO4 — CID 154572941

IUPAC2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClO4/c1-8-3-2-4-10(15(19)20)13(8)14(18)11-7-9(16)5-6-12(11)17/h2-7,17H,1H3,(H,19,20)
InChIKeyRQKINFMPGNZKHF-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.28
Rot. Bonds3

About 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid

2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid (PubChem CID 154572941) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid
PubChem CID154572941
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClO4/c1-8-3-2-4-10(15(19)20)13(8)14(18)11-7-9(16)5-6-12(11)17/h2-7,17H,1H3,(H,19,20)
InChIKeyRQKINFMPGNZKHF-UHFFFAOYSA-N
XLogP3.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-hydroxyphenyl)-(2-methylphenyl)methanone
CID 21463072
2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid
CID 70637233
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid;ethane-1,2-diol
CID 70637232
2-acetyl-3-methylbenzoic acid
CID 23423450
CID 67784559
CID 67784559
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
(5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
CID 139223403
(5-chloro-2-hydroxyphenyl)-(3-chloro-5-methylphenyl)methanone
CID 11594340
5-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63653834
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid?
The IUPAC name of 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid (CID 154572941) is 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid.
What is the SMILES notation for 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid?
The canonical SMILES for 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid?
The InChIKey is RQKINFMPGNZKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c1-8-3-2-4-10(15(19)20)13(8)14(18)11-7-9(16)5-6-12(11)17/h2-7,17H,1H3,(H,19,20).
What are the key properties of 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid?
2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid has a molecular weight of 290.70 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid is sourced from PubChem (CID 154572941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).