2-benzyl-4-methylsulfonylnaphthalen-1-ol

C18H16O3S — CID 14854925

IUPAC2-benzyl-4-methylsulfonylnaphthalen-1-ol
SMILESCS(=O)(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C18H16O3S/c1-22(20,21)17-12-14(11-13-7-3-2-4-8-13)18(19)16-10-6-5-9-15(16)17/h2-10,12,19H,11H2,1H3
InChIKeyZMBJHNNUHMZVFB-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.54
Rot. Bonds3

About 2-benzyl-4-methylsulfonylnaphthalen-1-ol

2-benzyl-4-methylsulfonylnaphthalen-1-ol (PubChem CID 14854925) has the molecular formula C18H16O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-benzyl-4-methylsulfonylnaphthalen-1-ol.

Molecular Properties

Compound Name2-benzyl-4-methylsulfonylnaphthalen-1-ol
PubChem CID14854925
Molecular FormulaC18H16O3S
Molecular Weight312.39 g/mol
Exact Mass312.08
IUPAC Name2-benzyl-4-methylsulfonylnaphthalen-1-ol
SMILESCS(=O)(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C18H16O3S/c1-22(20,21)17-12-14(11-13-7-3-2-4-8-13)18(19)16-10-6-5-9-15(16)17/h2-10,12,19H,11H2,1H3
InChIKeyZMBJHNNUHMZVFB-UHFFFAOYSA-N
XLogP3.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-4-methylsulfonylnaphthalen-1-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 2-benzyl-4-methylsulfonylnaphthalen-1-ol?
The IUPAC name of 2-benzyl-4-methylsulfonylnaphthalen-1-ol (CID 14854925) is 2-benzyl-4-methylsulfonylnaphthalen-1-ol.
What is the SMILES notation for 2-benzyl-4-methylsulfonylnaphthalen-1-ol?
The canonical SMILES for 2-benzyl-4-methylsulfonylnaphthalen-1-ol is CS(=O)(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12.
What is the InChIKey of 2-benzyl-4-methylsulfonylnaphthalen-1-ol?
The InChIKey is ZMBJHNNUHMZVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3S/c1-22(20,21)17-12-14(11-13-7-3-2-4-8-13)18(19)16-10-6-5-9-15(16)17/h2-10,12,19H,11H2,1H3.
What are the key properties of 2-benzyl-4-methylsulfonylnaphthalen-1-ol?
2-benzyl-4-methylsulfonylnaphthalen-1-ol has a molecular weight of 312.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methylsulfonylnaphthalen-1-ol is sourced from PubChem (CID 14854925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).