methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate

C17H17ClO3S — CID 23397310

IUPACmethyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate
SMILESCOC(=O)CSC(c1ccccc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H17ClO3S/c1-20-15-9-8-13(18)10-14(15)17(22-11-16(19)21-2)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeySYESYWLDFRSJRN-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.34
Rot. Bonds6

About methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate

methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate (PubChem CID 23397310) has the molecular formula C17H17ClO3S and a molecular weight of 336.84 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate
PubChem CID23397310
Molecular FormulaC17H17ClO3S
Molecular Weight336.84 g/mol
Exact Mass336.06
IUPAC Namemethyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate
SMILESCOC(=O)CSC(c1ccccc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H17ClO3S/c1-20-15-9-8-13(18)10-14(15)17(22-11-16(19)21-2)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeySYESYWLDFRSJRN-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate 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-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate?
The IUPAC name of methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate (CID 23397310) is methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate?
The canonical SMILES for methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate is COC(=O)CSC(c1ccccc1)c1cc(Cl)ccc1OC.
What is the InChIKey of methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate?
The InChIKey is SYESYWLDFRSJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3S/c1-20-15-9-8-13(18)10-14(15)17(22-11-16(19)21-2)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3.
What are the key properties of methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate?
methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate has a molecular weight of 336.84 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-2-methoxyphenyl)-phenylmethyl]sulfanylacetate is sourced from PubChem (CID 23397310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).