Skip to content

[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone

C23H22O2S — CID 102511766

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone
SMILESCCSc1c(C)c(-c2ccc(C)cc2)cc(O)c1C(=O)c1ccccc1
InChIInChI=1S/C23H22O2S/c1-4-26-23-16(3)19(17-12-10-15(2)11-13-17)14-20(24)21(23)22(25)18-8-6-5-7-9-18/h5-14,24H,4H2,1-3H3
InChIKeyGENMIEFNBQLVMS-UHFFFAOYSA-N
MW362.49 g/mol
LogP6.02
Rot. Bonds5

About [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone

[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone (PubChem CID 102511766) has the molecular formula C23H22O2S and a molecular weight of 362.49 g/mol. Its IUPAC name is [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone
PubChem CID102511766
Molecular FormulaC23H22O2S
Molecular Weight362.49 g/mol
Exact Mass362.13
IUPAC Name[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone
SMILESCCSc1c(C)c(-c2ccc(C)cc2)cc(O)c1C(=O)c1ccccc1
InChIInChI=1S/C23H22O2S/c1-4-26-23-16(3)19(17-12-10-15(2)11-13-17)14-20(24)21(23)22(25)18-8-6-5-7-9-18/h5-14,24H,4H2,1-3H3
InChIKeyGENMIEFNBQLVMS-UHFFFAOYSA-N
XLogP6.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone 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 [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone?
The IUPAC name of [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone (CID 102511766) is [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone is CCSc1c(C)c(-c2ccc(C)cc2)cc(O)c1C(=O)c1ccccc1.
What is the InChIKey of [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone?
The InChIKey is GENMIEFNBQLVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2S/c1-4-26-23-16(3)19(17-12-10-15(2)11-13-17)14-20(24)21(23)22(25)18-8-6-5-7-9-18/h5-14,24H,4H2,1-3H3.
What are the key properties of [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone?
[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone has a molecular weight of 362.49 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone is sourced from PubChem (CID 102511766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.