1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol

C20H20O3S — CID 53381756

IUPAC1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20O3S/c1-15-7-11-19(12-8-15)24(22,23)14-20(2,21)18-10-9-16-5-3-4-6-17(16)13-18/h3-13,21H,14H2,1-2H3
InChIKeyBXMGKUHYSHTKGL-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.83
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol

1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol (PubChem CID 53381756) has the molecular formula C20H20O3S and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol
PubChem CID53381756
Molecular FormulaC20H20O3S
Molecular Weight340.44 g/mol
Exact Mass340.11
IUPAC Name1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20O3S/c1-15-7-11-19(12-8-15)24(22,23)14-20(2,21)18-10-9-16-5-3-4-6-17(16)13-18/h3-13,21H,14H2,1-2H3
InChIKeyBXMGKUHYSHTKGL-UHFFFAOYSA-N
XLogP3.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol (CID 53381756) is 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol is Cc1ccc(S(=O)(=O)CC(C)(O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol?
The InChIKey is BXMGKUHYSHTKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3S/c1-15-7-11-19(12-8-15)24(22,23)14-20(2,21)18-10-9-16-5-3-4-6-17(16)13-18/h3-13,21H,14H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol?
1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol has a molecular weight of 340.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 53381756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).