3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol

C14H20OS — CID 116539879

IUPAC3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol
SMILESCC1(CCSc2ccccc2)CCC(O)C1
InChIInChI=1S/C14H20OS/c1-14(8-7-12(15)11-14)9-10-16-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyXZZQLYKQRAZDQH-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.72
Rot. Bonds4

About 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol

3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol (PubChem CID 116539879) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol
PubChem CID116539879
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol
SMILESCC1(CCSc2ccccc2)CCC(O)C1
InChIInChI=1S/C14H20OS/c1-14(8-7-12(15)11-14)9-10-16-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyXZZQLYKQRAZDQH-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol
CID 79866781
1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanone
CID 106797333
cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 11218600
[1-(2-phenylsulfanylethyl)cyclohexyl]methanol
CID 79223958
[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 79224493
[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
CID 79229107
2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol
CID 102636673
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211
[4,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 81012156
(2R,3R,5S)-2,5-dimethyl-2-(3-phenylsulfanylpropyl)oxolan-3-ol
CID 100947755
N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine
CID 106797623
2,4,4-trimethyl-N-(2-phenylsulfanylethyl)cyclohexan-1-amine
CID 81320792

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol?
The IUPAC name of 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol (CID 116539879) is 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol.
What is the SMILES notation for 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol?
The canonical SMILES for 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol is CC1(CCSc2ccccc2)CCC(O)C1.
What is the InChIKey of 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol?
The InChIKey is XZZQLYKQRAZDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-14(8-7-12(15)11-14)9-10-16-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3.
What are the key properties of 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol?
3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol has a molecular weight of 236.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol is sourced from PubChem (CID 116539879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).