5-chloro-4-ethoxy-2-methylbenzoic acid

C10H11ClO3 — CID 82284593

IUPAC5-chloro-4-ethoxy-2-methylbenzoic acid
SMILESCCOc1cc(C)c(C(=O)O)cc1Cl
InChIInChI=1S/C10H11ClO3/c1-3-14-9-4-6(2)7(10(12)13)5-8(9)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyLSMDHBDKNIGOTR-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.75
Rot. Bonds3

About 5-chloro-4-ethoxy-2-methylbenzoic acid

5-chloro-4-ethoxy-2-methylbenzoic acid (PubChem CID 82284593) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 5-chloro-4-ethoxy-2-methylbenzoic acid.

Molecular Properties

Compound Name5-chloro-4-ethoxy-2-methylbenzoic acid
PubChem CID82284593
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name5-chloro-4-ethoxy-2-methylbenzoic acid
SMILESCCOc1cc(C)c(C(=O)O)cc1Cl
InChIInChI=1S/C10H11ClO3/c1-3-14-9-4-6(2)7(10(12)13)5-8(9)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyLSMDHBDKNIGOTR-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-ethoxy-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one
CID 112512970
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
4-(5-chloro-4-ethoxy-2-methylbenzoyl)piperazine-1-carbaldehyde
CID 110762143
ethyl 4-(5-chloro-4-ethoxy-2-methylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808998
5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762158
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid
CID 11806852
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
1-(5-chloro-2,4-diethoxyphenyl)prop-2-en-1-one
CID 83959343
5-chloro-4-ethoxy-2-methylbenzenesulfinic acid
CID 82476073

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxy-2-methylbenzoic acid?
The IUPAC name of 5-chloro-4-ethoxy-2-methylbenzoic acid (CID 82284593) is 5-chloro-4-ethoxy-2-methylbenzoic acid.
What is the SMILES notation for 5-chloro-4-ethoxy-2-methylbenzoic acid?
The canonical SMILES for 5-chloro-4-ethoxy-2-methylbenzoic acid is CCOc1cc(C)c(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-4-ethoxy-2-methylbenzoic acid?
The InChIKey is LSMDHBDKNIGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-3-14-9-4-6(2)7(10(12)13)5-8(9)11/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-chloro-4-ethoxy-2-methylbenzoic acid?
5-chloro-4-ethoxy-2-methylbenzoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxy-2-methylbenzoic acid is sourced from PubChem (CID 82284593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).