4-(4-methylsulfonylphenyl)-3-phenoxyphenol

C19H16O4S — CID 139699276

IUPAC4-(4-methylsulfonylphenyl)-3-phenoxyphenol
SMILESCS(=O)(=O)c1ccc(-c2ccc(O)cc2Oc2ccccc2)cc1
InChIInChI=1S/C19H16O4S/c1-24(21,22)17-10-7-14(8-11-17)18-12-9-15(20)13-19(18)23-16-5-3-2-4-6-16/h2-13,20H,1H3
InChIKeyODFICPGCNHMCKV-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.26
Rot. Bonds4

About 4-(4-methylsulfonylphenyl)-3-phenoxyphenol

4-(4-methylsulfonylphenyl)-3-phenoxyphenol (PubChem CID 139699276) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-3-phenoxyphenol.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-3-phenoxyphenol
PubChem CID139699276
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name4-(4-methylsulfonylphenyl)-3-phenoxyphenol
SMILESCS(=O)(=O)c1ccc(-c2ccc(O)cc2Oc2ccccc2)cc1
InChIInChI=1S/C19H16O4S/c1-24(21,22)17-10-7-14(8-11-17)18-12-9-15(20)13-19(18)23-16-5-3-2-4-6-16/h2-13,20H,1H3
InChIKeyODFICPGCNHMCKV-UHFFFAOYSA-N
XLogP4.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylsulfonylphenyl)-3-phenoxyphenol 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

(5-hydroxy-2-phenylphenyl) hydrogen sulfate
CID 56634877
methane;methylsulfonylbenzene;4-methylsulfonylphenol
CID 161395670
4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol
CID 170775302
5-methylsulfonyl-2-phenylphenol
CID 170991477
6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide
CID 175820078
3-methoxy-4-(4-methylsulfonylphenyl)benzoic acid
CID 53228122
3-(4-ethylsulfonylphenyl)-4-phenylphenol
CID 67689499
4-(5-nitro-2-phenylphenoxy)phenol
CID 70376187
4-bromo-2-(4-methylsulfonylphenyl)-1-phenylmethoxybenzene
CID 170459918
4-[5-methyl-2-(4-methyl-2-phenoxyphenyl)phenoxy]benzenesulfonic acid
CID 164811242
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
6-(4-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-4-phenylpyran-2-one
CID 11154312

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-3-phenoxyphenol?
The IUPAC name of 4-(4-methylsulfonylphenyl)-3-phenoxyphenol (CID 139699276) is 4-(4-methylsulfonylphenyl)-3-phenoxyphenol.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-3-phenoxyphenol?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-3-phenoxyphenol is CS(=O)(=O)c1ccc(-c2ccc(O)cc2Oc2ccccc2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-3-phenoxyphenol?
The InChIKey is ODFICPGCNHMCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S/c1-24(21,22)17-10-7-14(8-11-17)18-12-9-15(20)13-19(18)23-16-5-3-2-4-6-16/h2-13,20H,1H3.
What are the key properties of 4-(4-methylsulfonylphenyl)-3-phenoxyphenol?
4-(4-methylsulfonylphenyl)-3-phenoxyphenol has a molecular weight of 340.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-3-phenoxyphenol is sourced from PubChem (CID 139699276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).