6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol

C23H18O4S — CID 24949871

IUPAC6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol
SMILESCc1ccc(S(=O)(=O)c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)cc1
InChIInChI=1S/C23H18O4S/c1-15-5-9-20(10-6-15)28(26,27)23-21-11-7-17(13-18(21)8-12-22(23)25)16-3-2-4-19(24)14-16/h2-14,24-25H,1H3
InChIKeyJHMLSKOLSYCOAM-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.06
Rot. Bonds3

About 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol

6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol (PubChem CID 24949871) has the molecular formula C23H18O4S and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol
PubChem CID24949871
Molecular FormulaC23H18O4S
Molecular Weight390.46 g/mol
Exact Mass390.09
IUPAC Name6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol
SMILESCc1ccc(S(=O)(=O)c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)cc1
InChIInChI=1S/C23H18O4S/c1-15-5-9-20(10-6-15)28(26,27)23-21-11-7-17(13-18(21)8-12-22(23)25)16-3-2-4-19(24)14-16/h2-14,24-25H,1H3
InChIKeyJHMLSKOLSYCOAM-UHFFFAOYSA-N
XLogP5.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol 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 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol?
The IUPAC name of 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol (CID 24949871) is 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol.
What is the SMILES notation for 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol?
The canonical SMILES for 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol is Cc1ccc(S(=O)(=O)c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)cc1.
What is the InChIKey of 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol?
The InChIKey is JHMLSKOLSYCOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4S/c1-15-5-9-20(10-6-15)28(26,27)23-21-11-7-17(13-18(21)8-12-22(23)25)16-3-2-4-19(24)14-16/h2-14,24-25H,1H3.
What are the key properties of 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol?
6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol has a molecular weight of 390.46 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol is sourced from PubChem (CID 24949871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).