(4-methylsulfonylphenyl)-naphthalen-2-ylmethanol

C18H16O3S — CID 11472433

IUPAC(4-methylsulfonylphenyl)-naphthalen-2-ylmethanol
SMILESCS(=O)(=O)c1ccc(C(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16O3S/c1-22(20,21)17-10-8-14(9-11-17)18(19)16-7-6-13-4-2-3-5-15(13)12-16/h2-12,18-19H,1H3
InChIKeyWWWQBSSNKGXDCL-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.33
Rot. Bonds3

About (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol

(4-methylsulfonylphenyl)-naphthalen-2-ylmethanol (PubChem CID 11472433) has the molecular formula C18H16O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-naphthalen-2-ylmethanol
PubChem CID11472433
Molecular FormulaC18H16O3S
Molecular Weight312.39 g/mol
Exact Mass312.08
IUPAC Name(4-methylsulfonylphenyl)-naphthalen-2-ylmethanol
SMILESCS(=O)(=O)c1ccc(C(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16O3S/c1-22(20,21)17-10-8-14(9-11-17)18(19)16-7-6-13-4-2-3-5-15(13)12-16/h2-12,18-19H,1H3
InChIKeyWWWQBSSNKGXDCL-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol?
The IUPAC name of (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol (CID 11472433) is (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol?
The canonical SMILES for (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol is CS(=O)(=O)c1ccc(C(O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol?
The InChIKey is WWWQBSSNKGXDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3S/c1-22(20,21)17-10-8-14(9-11-17)18(19)16-7-6-13-4-2-3-5-15(13)12-16/h2-12,18-19H,1H3.
What are the key properties of (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol?
(4-methylsulfonylphenyl)-naphthalen-2-ylmethanol has a molecular weight of 312.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 11472433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).