[3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol

C14H20O3S — CID 176640011

IUPAC[3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol
SMILESCC(C)c1cccc(S(=O)(=O)C2CC(CO)C2)c1
InChIInChI=1S/C14H20O3S/c1-10(2)12-4-3-5-13(8-12)18(16,17)14-6-11(7-14)9-15/h3-5,8,10-11,14-15H,6-7,9H2,1-2H3
InChIKeyZNEJRLXSUDGIFK-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.35
Rot. Bonds4

About [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol

[3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol (PubChem CID 176640011) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol.

Molecular Properties

Compound Name[3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol
PubChem CID176640011
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name[3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol
SMILESCC(C)c1cccc(S(=O)(=O)C2CC(CO)C2)c1
InChIInChI=1S/C14H20O3S/c1-10(2)12-4-3-5-13(8-12)18(16,17)14-6-11(7-14)9-15/h3-5,8,10-11,14-15H,6-7,9H2,1-2H3
InChIKeyZNEJRLXSUDGIFK-UHFFFAOYSA-N
XLogP2.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propan-2-ylphenyl)sulfonylethanol
CID 90145821
ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane
CID 142264931
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CID 155313432
1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 138531816
1-butylsulfonyl-3-propan-2-ylbenzene
CID 126760572
1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665964
ethane;1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665963
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
2-(dibutylamino)ethanol;3-propan-2-ylbenzenesulfonic acid
CID 71655953
[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
N-(cyclopropylmethyl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
CID 119987730
1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 138531753

Frequently Asked Questions

What is the IUPAC name of [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol?
The IUPAC name of [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol (CID 176640011) is [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol.
What is the SMILES notation for [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol?
The canonical SMILES for [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol is CC(C)c1cccc(S(=O)(=O)C2CC(CO)C2)c1.
What is the InChIKey of [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol?
The InChIKey is ZNEJRLXSUDGIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-10(2)12-4-3-5-13(8-12)18(16,17)14-6-11(7-14)9-15/h3-5,8,10-11,14-15H,6-7,9H2,1-2H3.
What are the key properties of [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol?
[3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol has a molecular weight of 268.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol is sourced from PubChem (CID 176640011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).