2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol

C15H22O4S — CID 65049759

IUPAC2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol
SMILESCCCOc1ccc(C2(O)CCCC2S(C)(=O)=O)cc1
InChIInChI=1S/C15H22O4S/c1-3-11-19-13-8-6-12(7-9-13)15(16)10-4-5-14(15)20(2,17)18/h6-9,14,16H,3-5,10-11H2,1-2H3
InChIKeyNQEXOUHBXQCTFH-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.26
Rot. Bonds5

About 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol

2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol (PubChem CID 65049759) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol
PubChem CID65049759
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol
SMILESCCCOc1ccc(C2(O)CCCC2S(C)(=O)=O)cc1
InChIInChI=1S/C15H22O4S/c1-3-11-19-13-8-6-12(7-9-13)15(16)10-4-5-14(15)20(2,17)18/h6-9,14,16H,3-5,10-11H2,1-2H3
InChIKeyNQEXOUHBXQCTFH-UHFFFAOYSA-N
XLogP2.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol (CID 65049759) is 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol is CCCOc1ccc(C2(O)CCCC2S(C)(=O)=O)cc1.
What is the InChIKey of 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol?
The InChIKey is NQEXOUHBXQCTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4S/c1-3-11-19-13-8-6-12(7-9-13)15(16)10-4-5-14(15)20(2,17)18/h6-9,14,16H,3-5,10-11H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol?
2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol has a molecular weight of 298.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol is sourced from PubChem (CID 65049759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).