3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol

C19H22O3S — CID 71411129

IUPAC3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol
SMILESCC1(S(=O)(=O)c2ccccc2)CC(O)(CCc2ccccc2)C1
InChIInChI=1S/C19H22O3S/c1-18(23(21,22)17-10-6-3-7-11-17)14-19(20,15-18)13-12-16-8-4-2-5-9-16/h2-11,20H,12-15H2,1H3
InChIKeyGSZWXHWOEMQTCW-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.38
Rot. Bonds5

About 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol

3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol (PubChem CID 71411129) has the molecular formula C19H22O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol
PubChem CID71411129
Molecular FormulaC19H22O3S
Molecular Weight330.45 g/mol
Exact Mass330.13
IUPAC Name3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol
SMILESCC1(S(=O)(=O)c2ccccc2)CC(O)(CCc2ccccc2)C1
InChIInChI=1S/C19H22O3S/c1-18(23(21,22)17-10-6-3-7-11-17)14-19(20,15-18)13-12-16-8-4-2-5-9-16/h2-11,20H,12-15H2,1H3
InChIKeyGSZWXHWOEMQTCW-UHFFFAOYSA-N
XLogP3.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol?
The IUPAC name of 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol (CID 71411129) is 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol is CC1(S(=O)(=O)c2ccccc2)CC(O)(CCc2ccccc2)C1.
What is the InChIKey of 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol?
The InChIKey is GSZWXHWOEMQTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3S/c1-18(23(21,22)17-10-6-3-7-11-17)14-19(20,15-18)13-12-16-8-4-2-5-9-16/h2-11,20H,12-15H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol?
3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol has a molecular weight of 330.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol is sourced from PubChem (CID 71411129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).