6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol

C31H33NO4S — CID 11519654

IUPAC6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
SMILESCS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C31H33NO4S/c1-37(34,35)28-13-7-24(8-14-28)29-15-9-25-22-26(33)10-16-30(25)31(29)21-23-5-11-27(12-6-23)36-20-19-32-17-3-2-4-18-32/h5-16,22,33H,2-4,17-21H2,1H3
InChIKeyFGQKZJQBKCJYLS-UHFFFAOYSA-N
MW515.68 g/mol
LogP6.07
Rot. Bonds8

About 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol

6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol (PubChem CID 11519654) has the molecular formula C31H33NO4S and a molecular weight of 515.68 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
PubChem CID11519654
Molecular FormulaC31H33NO4S
Molecular Weight515.68 g/mol
Exact Mass515.21
IUPAC Name6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
SMILESCS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C31H33NO4S/c1-37(34,35)28-13-7-24(8-14-28)29-15-9-25-22-26(33)10-16-30(25)31(29)21-23-5-11-27(12-6-23)36-20-19-32-17-3-2-4-18-32/h5-16,22,33H,2-4,17-21H2,1H3
InChIKeyFGQKZJQBKCJYLS-UHFFFAOYSA-N
XLogP6.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-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-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol (CID 11519654) is 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol is CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol?
The InChIKey is FGQKZJQBKCJYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO4S/c1-37(34,35)28-13-7-24(8-14-28)29-15-9-25-22-26(33)10-16-30(25)31(29)21-23-5-11-27(12-6-23)36-20-19-32-17-3-2-4-18-32/h5-16,22,33H,2-4,17-21H2,1H3.
What are the key properties of 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol?
6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol has a molecular weight of 515.68 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 11519654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).