5-chloro-2,4-dihydroxy-3-methylbenzoic acid

C8H7ClO4 — CID 22169093

IUPAC5-chloro-2,4-dihydroxy-3-methylbenzoic acid
SMILESCc1c(O)c(Cl)cc(C(=O)O)c1O
InChIInChI=1S/C8H7ClO4/c1-3-6(10)4(8(12)13)2-5(9)7(3)11/h2,10-11H,1H3,(H,12,13)
InChIKeyITTHPRVWTKKJTO-UHFFFAOYSA-N
MW202.59 g/mol
LogP1.76
Rot. Bonds1

About 5-chloro-2,4-dihydroxy-3-methylbenzoic acid

5-chloro-2,4-dihydroxy-3-methylbenzoic acid (PubChem CID 22169093) has the molecular formula C8H7ClO4 and a molecular weight of 202.59 g/mol. Its IUPAC name is 5-chloro-2,4-dihydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name5-chloro-2,4-dihydroxy-3-methylbenzoic acid
PubChem CID22169093
Molecular FormulaC8H7ClO4
Molecular Weight202.59 g/mol
Exact Mass202.00
IUPAC Name5-chloro-2,4-dihydroxy-3-methylbenzoic acid
SMILESCc1c(O)c(Cl)cc(C(=O)O)c1O
InChIInChI=1S/C8H7ClO4/c1-3-6(10)4(8(12)13)2-5(9)7(3)11/h2,10-11H,1H3,(H,12,13)
InChIKeyITTHPRVWTKKJTO-UHFFFAOYSA-N
XLogP1.76
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
5-tert-butyl-4-chloro-2-hydroxy-3-methylbenzoic acid
CID 22945013
5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid
CID 142521933
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985
4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid
CID 83892625
4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
CID 172866613
4,5-dichloro-2-fluoro-3-methylbenzoic acid
CID 155293772
5-formyl-2-hydroxy-3,4-dimethylbenzoic acid
CID 87724241
1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58913540
sodium 2-carboxy-4-chloro-5-methylbenzoate
CID 169225016
4-carbonochloridoyl-3,5-dichloro-2-methylbenzoic acid
CID 118876298

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dihydroxy-3-methylbenzoic acid?
The IUPAC name of 5-chloro-2,4-dihydroxy-3-methylbenzoic acid (CID 22169093) is 5-chloro-2,4-dihydroxy-3-methylbenzoic acid.
What is the SMILES notation for 5-chloro-2,4-dihydroxy-3-methylbenzoic acid?
The canonical SMILES for 5-chloro-2,4-dihydroxy-3-methylbenzoic acid is Cc1c(O)c(Cl)cc(C(=O)O)c1O.
What is the InChIKey of 5-chloro-2,4-dihydroxy-3-methylbenzoic acid?
The InChIKey is ITTHPRVWTKKJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4/c1-3-6(10)4(8(12)13)2-5(9)7(3)11/h2,10-11H,1H3,(H,12,13).
What are the key properties of 5-chloro-2,4-dihydroxy-3-methylbenzoic acid?
5-chloro-2,4-dihydroxy-3-methylbenzoic acid has a molecular weight of 202.59 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dihydroxy-3-methylbenzoic acid is sourced from PubChem (CID 22169093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).