2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid

C10H11ClO3S — CID 116853607

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid
SMILESCOc1cc(C)c(SCC(=O)O)cc1Cl
InChIInChI=1S/C10H11ClO3S/c1-6-3-8(14-2)7(11)4-9(6)15-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyDWLHFWKWKSMQFT-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.83
Rot. Bonds4

About 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid

2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid (PubChem CID 116853607) has the molecular formula C10H11ClO3S and a molecular weight of 246.71 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid
PubChem CID116853607
Molecular FormulaC10H11ClO3S
Molecular Weight246.71 g/mol
Exact Mass246.01
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid
SMILESCOc1cc(C)c(SCC(=O)O)cc1Cl
InChIInChI=1S/C10H11ClO3S/c1-6-3-8(14-2)7(11)4-9(6)15-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyDWLHFWKWKSMQFT-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic 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-(2,5-dimethoxy-3,4-dimethylphenyl)sulfanylacetic acid
CID 116853665
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
CID 82296774
1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
3-amino-3-(4-chloro-5-methoxy-2-methylphenyl)propanoic acid
CID 84802119
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
2-[2-(2,4-dichloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 1484176
2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid
CID 84642929
N-(5-chloro-4-methoxy-2-methylphenyl)-2-hydroxypropanamide
CID 115140378
2-(5-chloro-2,4-dimethoxyphenyl)sulfanylpropanoic acid
CID 134098228
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid (CID 116853607) is 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid is COc1cc(C)c(SCC(=O)O)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid?
The InChIKey is DWLHFWKWKSMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c1-6-3-8(14-2)7(11)4-9(6)15-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid?
2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid has a molecular weight of 246.71 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid is sourced from PubChem (CID 116853607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).