1-(1-phenylsulfanylethenyl)cyclopentan-1-ol

C13H16OS — CID 15668801

IUPAC1-(1-phenylsulfanylethenyl)cyclopentan-1-ol
SMILESC=C(Sc1ccccc1)C1(O)CCCC1
InChIInChI=1S/C13H16OS/c1-11(13(14)9-5-6-10-13)15-12-7-3-2-4-8-12/h2-4,7-8,14H,1,5-6,9-10H2
InChIKeyGEVFMQXLMCPKCY-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.60
Rot. Bonds3

About 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol

1-(1-phenylsulfanylethenyl)cyclopentan-1-ol (PubChem CID 15668801) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(1-phenylsulfanylethenyl)cyclopentan-1-ol
PubChem CID15668801
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-(1-phenylsulfanylethenyl)cyclopentan-1-ol
SMILESC=C(Sc1ccccc1)C1(O)CCCC1
InChIInChI=1S/C13H16OS/c1-11(13(14)9-5-6-10-13)15-12-7-3-2-4-8-12/h2-4,7-8,14H,1,5-6,9-10H2
InChIKeyGEVFMQXLMCPKCY-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol
CID 373327
3,7-Dimethyl-5-(phenylthio)octa-1,6-dien-3-ol
CID 551454
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
2-Methyl-3-phenylsulfanylheptan-2-ol
CID 11160765
1-[Difluoro(phenylsulfanyl)methyl]cyclohexan-1-ol
CID 11230657
1-[Fluoro-(methylidene-oxo-phenyl-lambda6-sulfanyl)methyl]cyclopentan-1-ol
CID 145596183
1-(2-Phenylsulfanylethynyl)cyclohexan-1-ol
CID 10263362
Cyclopentanol, 1-[2-(phenylthio)ethyl]-
CID 10878759
(1E,3S)-3,7-dimethyl-1-phenylsulfanylocta-1,6-dien-3-ol
CID 11086581
6-Methyl-6-phenylsulfanylhept-1-en-3-ol
CID 11345390
5-Methyl-5-phenylsulfanylhex-1-en-3-ol
CID 11368054

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol?
The IUPAC name of 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol (CID 15668801) is 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol?
The canonical SMILES for 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol is C=C(Sc1ccccc1)C1(O)CCCC1.
What is the InChIKey of 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol?
The InChIKey is GEVFMQXLMCPKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-11(13(14)9-5-6-10-13)15-12-7-3-2-4-8-12/h2-4,7-8,14H,1,5-6,9-10H2.
What are the key properties of 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol?
1-(1-phenylsulfanylethenyl)cyclopentan-1-ol has a molecular weight of 220.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanylethenyl)cyclopentan-1-ol is sourced from PubChem (CID 15668801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).