4-chloro-2-ethyl-3-hydroxybenzoic acid

C9H9ClO3 — CID 174469710

IUPAC4-chloro-2-ethyl-3-hydroxybenzoic acid
SMILESCCc1c(C(=O)O)ccc(Cl)c1O
InChIInChI=1S/C9H9ClO3/c1-2-5-6(9(12)13)3-4-7(10)8(5)11/h3-4,11H,2H2,1H3,(H,12,13)
InChIKeyANWLJKHQBVWABR-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.31
Rot. Bonds2

About 4-chloro-2-ethyl-3-hydroxybenzoic acid

4-chloro-2-ethyl-3-hydroxybenzoic acid (PubChem CID 174469710) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-chloro-2-ethyl-3-hydroxybenzoic acid
PubChem CID174469710
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name4-chloro-2-ethyl-3-hydroxybenzoic acid
SMILESCCc1c(C(=O)O)ccc(Cl)c1O
InChIInChI=1S/C9H9ClO3/c1-2-5-6(9(12)13)3-4-7(10)8(5)11/h3-4,11H,2H2,1H3,(H,12,13)
InChIKeyANWLJKHQBVWABR-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid
CID 141207283
4-chloro-3-ethyl-2-fluorobenzoic acid
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2,3-diethyl-4-hydroxybenzoic acid
CID 66720477
6-chloro-2-ethyl-3-methylphenol
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3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822
2-ethyl-3,4-dimethylbenzoic acid
CID 58433951
2,4-dichloro-3-propylbenzoic acid
CID 67726803
2-ethyl-4-methylbenzene-1,3-dicarboxylic acid
CID 150018271
2-(4-chloro-3-ethyl-2-methylphenyl)-2-oxoacetic acid
CID 73011943
2-(3,4-dichloro-2-ethylphenyl)-2-oxoacetate
CID 71651091
2-(4-chloro-2-ethyl-3-methylphenyl)-2-oxoacetic acid
CID 73011947
3-bromo-4-chloro-2-hydroxybenzoic acid
CID 131396911

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3-hydroxybenzoic acid?
The IUPAC name of 4-chloro-2-ethyl-3-hydroxybenzoic acid (CID 174469710) is 4-chloro-2-ethyl-3-hydroxybenzoic acid.
What is the SMILES notation for 4-chloro-2-ethyl-3-hydroxybenzoic acid?
The canonical SMILES for 4-chloro-2-ethyl-3-hydroxybenzoic acid is CCc1c(C(=O)O)ccc(Cl)c1O.
What is the InChIKey of 4-chloro-2-ethyl-3-hydroxybenzoic acid?
The InChIKey is ANWLJKHQBVWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-2-5-6(9(12)13)3-4-7(10)8(5)11/h3-4,11H,2H2,1H3,(H,12,13).
What are the key properties of 4-chloro-2-ethyl-3-hydroxybenzoic acid?
4-chloro-2-ethyl-3-hydroxybenzoic acid has a molecular weight of 200.62 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-3-hydroxybenzoic acid is sourced from PubChem (CID 174469710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).