methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate

C15H14O4S — CID 91879834

IUPACmethyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate
SMILESCOC(=O)c1ccc(Sc2ccc(O)cc2OC)cc1
InChIInChI=1S/C15H14O4S/c1-18-13-9-11(16)5-8-14(13)20-12-6-3-10(4-7-12)15(17)19-2/h3-9,16H,1-2H3
InChIKeyBSUKUESOAWHHFQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.34
Rot. Bonds4

About methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate

methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate (PubChem CID 91879834) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate
PubChem CID91879834
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Namemethyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate
SMILESCOC(=O)c1ccc(Sc2ccc(O)cc2OC)cc1
InChIInChI=1S/C15H14O4S/c1-18-13-9-11(16)5-8-14(13)20-12-6-3-10(4-7-12)15(17)19-2/h3-9,16H,1-2H3
InChIKeyBSUKUESOAWHHFQ-UHFFFAOYSA-N
XLogP3.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-hydroxy-2-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 4-(2-amino-4-hydroxyphenyl)sulfanylbenzoate
CID 91879833
3-hydroxy-4-(4-methoxycarbonylphenyl)sulfanylbenzoic acid
CID 91878751
methyl 4-(4-amino-2-hydroxyphenyl)sulfanylbenzoate
CID 91880110
methyl 4-[(4-methoxy-3-pyridinyl)sulfanyl]benzoate
CID 168792580
methyl 4-(2-chloro-4-methoxyphenyl)sulfanylbenzoate
CID 91879021
4-(4-iodo-2-methoxyphenyl)sulfanylphenol
CID 91879560
3-amino-4-(4-methoxycarbonylphenyl)sulfanylbenzoic acid
CID 91878745
methyl 4-(2-amino-4-bromophenyl)sulfanylbenzoate
CID 91877532
2-[2-methoxy-4-(4-methoxycarbonylphenyl)sulfanylphenyl]acetic acid
CID 91879209
2-[3-hydroxy-4-(4-methoxycarbonylphenyl)sulfanylphenyl]acetic acid
CID 91879216
5-bromo-2-(4-methoxycarbonylphenyl)sulfanylbenzoic acid
CID 91877531
4-[4-(carboxymethyl)-2-methoxyphenyl]sulfanylbenzoic acid
CID 91878667

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate?
The IUPAC name of methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate (CID 91879834) is methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate.
What is the SMILES notation for methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate?
The canonical SMILES for methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate is COC(=O)c1ccc(Sc2ccc(O)cc2OC)cc1.
What is the InChIKey of methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate?
The InChIKey is BSUKUESOAWHHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-18-13-9-11(16)5-8-14(13)20-12-6-3-10(4-7-12)15(17)19-2/h3-9,16H,1-2H3.
What are the key properties of methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate?
methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate has a molecular weight of 290.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate is sourced from PubChem (CID 91879834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).