2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol

C15H22O3S — CID 65050038

IUPAC2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol
SMILESCC(C)c1ccc(C2(O)CCCC2S(C)(=O)=O)cc1
InChIInChI=1S/C15H22O3S/c1-11(2)12-6-8-13(9-7-12)15(16)10-4-5-14(15)19(3,17)18/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyDEQKZQACKOYDKO-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.59
Rot. Bonds3

About 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol

2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol (PubChem CID 65050038) has the molecular formula C15H22O3S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol
PubChem CID65050038
Molecular FormulaC15H22O3S
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol
SMILESCC(C)c1ccc(C2(O)CCCC2S(C)(=O)=O)cc1
InChIInChI=1S/C15H22O3S/c1-11(2)12-6-8-13(9-7-12)15(16)10-4-5-14(15)19(3,17)18/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyDEQKZQACKOYDKO-UHFFFAOYSA-N
XLogP2.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol (CID 65050038) is 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol is CC(C)c1ccc(C2(O)CCCC2S(C)(=O)=O)cc1.
What is the InChIKey of 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol?
The InChIKey is DEQKZQACKOYDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-11(2)12-6-8-13(9-7-12)15(16)10-4-5-14(15)19(3,17)18/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol?
2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol has a molecular weight of 282.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 65050038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).