methyl 3-(4-methoxyphenyl)sulfanylbenzoate

C15H14O3S — CID 101396381

IUPACmethyl 3-(4-methoxyphenyl)sulfanylbenzoate
SMILESCOC(=O)c1cccc(Sc2ccc(OC)cc2)c1
InChIInChI=1S/C15H14O3S/c1-17-12-6-8-13(9-7-12)19-14-5-3-4-11(10-14)15(16)18-2/h3-10H,1-2H3
InChIKeyUZQGJQQRYHDXQZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.63
Rot. Bonds4

About methyl 3-(4-methoxyphenyl)sulfanylbenzoate

methyl 3-(4-methoxyphenyl)sulfanylbenzoate (PubChem CID 101396381) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)sulfanylbenzoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)sulfanylbenzoate
PubChem CID101396381
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Namemethyl 3-(4-methoxyphenyl)sulfanylbenzoate
SMILESCOC(=O)c1cccc(Sc2ccc(OC)cc2)c1
InChIInChI=1S/C15H14O3S/c1-17-12-6-8-13(9-7-12)19-14-5-3-4-11(10-14)15(16)18-2/h3-10H,1-2H3
InChIKeyUZQGJQQRYHDXQZ-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(4-methoxyphenyl)sulfanylbenzoate 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

methyl 3-(4-methylphenyl)sulfanylbenzoate
CID 154293212
methyl 3-(3,4-diaminophenyl)sulfanylbenzoate
CID 22022418
methyl 3-fluorosulfanylbenzoate
CID 139540027
2-methoxycarbonyl-5-(4-methoxyphenyl)sulfanylbenzoic acid
CID 91879038
methyl 4-[3-(trifluoromethyl)phenyl]sulfanylbenzoate
CID 138972698
methyl 3-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzoate
CID 92672238
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-[1-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfanylbenzoate
CID 139619526
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
methyl 3-isocyanatosulfanylbenzoate
CID 87069540
methyl 3-(2-methylpropylsulfanyl)benzoate
CID 118342668

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)sulfanylbenzoate?
The IUPAC name of methyl 3-(4-methoxyphenyl)sulfanylbenzoate (CID 101396381) is methyl 3-(4-methoxyphenyl)sulfanylbenzoate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)sulfanylbenzoate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)sulfanylbenzoate is COC(=O)c1cccc(Sc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)sulfanylbenzoate?
The InChIKey is UZQGJQQRYHDXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-17-12-6-8-13(9-7-12)19-14-5-3-4-11(10-14)15(16)18-2/h3-10H,1-2H3.
What are the key properties of methyl 3-(4-methoxyphenyl)sulfanylbenzoate?
methyl 3-(4-methoxyphenyl)sulfanylbenzoate has a molecular weight of 274.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)sulfanylbenzoate is sourced from PubChem (CID 101396381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).