(4-methylsulfonylphenyl)-naphthalen-1-ylmethanol

C18H16O3S — CID 11255417

IUPAC(4-methylsulfonylphenyl)-naphthalen-1-ylmethanol
SMILESCS(=O)(=O)c1ccc(C(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H16O3S/c1-22(20,21)15-11-9-14(10-12-15)18(19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18-19H,1H3
InChIKeySDGZPDDSKLSQSC-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.33
Rot. Bonds3

About (4-methylsulfonylphenyl)-naphthalen-1-ylmethanol

(4-methylsulfonylphenyl)-naphthalen-1-ylmethanol (PubChem CID 11255417) has the molecular formula C18H16O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-naphthalen-1-ylmethanol
PubChem CID11255417
Molecular FormulaC18H16O3S
Molecular Weight312.39 g/mol
Exact Mass312.08
IUPAC Name(4-methylsulfonylphenyl)-naphthalen-1-ylmethanol
SMILESCS(=O)(=O)c1ccc(C(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H16O3S/c1-22(20,21)15-11-9-14(10-12-15)18(19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18-19H,1H3
InChIKeySDGZPDDSKLSQSC-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-1-ylmethanol?
The IUPAC name of (4-methylsulfonylphenyl)-naphthalen-1-ylmethanol (CID 11255417) is (4-methylsulfonylphenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (4-methylsulfonylphenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (4-methylsulfonylphenyl)-naphthalen-1-ylmethanol is CS(=O)(=O)c1ccc(C(O)c2cccc3ccccc23)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-naphthalen-1-ylmethanol?
The InChIKey is SDGZPDDSKLSQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3S/c1-22(20,21)15-11-9-14(10-12-15)18(19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18-19H,1H3.
What are the key properties of (4-methylsulfonylphenyl)-naphthalen-1-ylmethanol?
(4-methylsulfonylphenyl)-naphthalen-1-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-1-ylmethanol is sourced from PubChem (CID 11255417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).