1-(2-phenylsulfanylethyl)cyclopentan-1-ol

C13H18OS — CID 10878759

IUPAC1-(2-phenylsulfanylethyl)cyclopentan-1-ol
SMILESOC1(CCSc2ccccc2)CCCC1
InChIInChI=1S/C13H18OS/c14-13(8-4-5-9-13)10-11-15-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyKFMVFSHDHPWLTC-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-phenylsulfanylethyl)cyclopentan-1-ol

1-(2-phenylsulfanylethyl)cyclopentan-1-ol (PubChem CID 10878759) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)cyclopentan-1-ol
PubChem CID10878759
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-(2-phenylsulfanylethyl)cyclopentan-1-ol
SMILESOC1(CCSc2ccccc2)CCCC1
InChIInChI=1S/C13H18OS/c14-13(8-4-5-9-13)10-11-15-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyKFMVFSHDHPWLTC-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)cyclopentan-1-ol?
The IUPAC name of 1-(2-phenylsulfanylethyl)cyclopentan-1-ol (CID 10878759) is 1-(2-phenylsulfanylethyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-phenylsulfanylethyl)cyclopentan-1-ol is OC1(CCSc2ccccc2)CCCC1.
What is the InChIKey of 1-(2-phenylsulfanylethyl)cyclopentan-1-ol?
The InChIKey is KFMVFSHDHPWLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c14-13(8-4-5-9-13)10-11-15-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2.
What are the key properties of 1-(2-phenylsulfanylethyl)cyclopentan-1-ol?
1-(2-phenylsulfanylethyl)cyclopentan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)cyclopentan-1-ol is sourced from PubChem (CID 10878759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).