2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid

C14H11ClO3S — CID 63648866

IUPAC2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid
SMILESCSc1ccccc1Oc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H11ClO3S/c1-19-12-8-3-2-6-10(12)18-11-7-4-5-9(15)13(11)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyGQGKKRMOTJKADQ-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.55
Rot. Bonds4

About 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid

2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid (PubChem CID 63648866) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid
PubChem CID63648866
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Name2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid
SMILESCSc1ccccc1Oc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H11ClO3S/c1-19-12-8-3-2-6-10(12)18-11-7-4-5-9(15)13(11)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyGQGKKRMOTJKADQ-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-(2-methylsulfanylphenoxy)benzoic 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-amino-3-fluoro-6-(2-methylsulfanylphenoxy)benzoic acid
CID 83215087
1-chloro-2-(chloromethyl)-3-(2-methylsulfanylphenoxy)benzene
CID 63648869
2-chloro-6-propan-2-yloxybenzoic acid
CID 28604889
1-chloro-3-(2-methylsulfanylphenoxy)-2-nitrobenzene
CID 113458813
2-chloro-6-(2,5-dimethylphenoxy)benzoic acid
CID 29037319
5-amino-3-chloro-2-(2-methylsulfanylphenoxy)benzoic acid
CID 107197879
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
2-(4-butan-2-ylphenoxy)-6-chlorobenzoic acid
CID 107665757
2-(2-cyano-3-methylsulfanylphenoxy)-6-fluorobenzoic acid
CID 107016315
2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid
CID 114888729
2-chloro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61037465
CID 11251659
CID 11251659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid?
The IUPAC name of 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid (CID 63648866) is 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid.
What is the SMILES notation for 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid?
The canonical SMILES for 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid is CSc1ccccc1Oc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid?
The InChIKey is GQGKKRMOTJKADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c1-19-12-8-3-2-6-10(12)18-11-7-4-5-9(15)13(11)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid?
2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid has a molecular weight of 294.76 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid is sourced from PubChem (CID 63648866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).