methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate

C16H15ClO2S — CID 23146053

IUPACmethyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate
SMILESCOC(=O)CSCc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2S/c1-19-16(18)11-20-10-13-4-2-3-5-15(13)12-6-8-14(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyXIAINZPKMUPWIL-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.41
Rot. Bonds5

About methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate

methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate (PubChem CID 23146053) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate
PubChem CID23146053
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Namemethyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate
SMILESCOC(=O)CSCc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2S/c1-19-16(18)11-20-10-13-4-2-3-5-15(13)12-6-8-14(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyXIAINZPKMUPWIL-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate?
The IUPAC name of methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate (CID 23146053) is methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate is COC(=O)CSCc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate?
The InChIKey is XIAINZPKMUPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-19-16(18)11-20-10-13-4-2-3-5-15(13)12-6-8-14(17)9-7-12/h2-9H,10-11H2,1H3.
What are the key properties of methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate?
methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate has a molecular weight of 306.81 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetate is sourced from PubChem (CID 23146053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).