1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol

C14H18OS — CID 11020834

IUPAC1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
SMILESOC1(/C=C/Sc2ccccc2)CCCCC1
InChIInChI=1S/C14H18OS/c15-14(9-5-2-6-10-14)11-12-16-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,15H,2,5-6,9-10H2/b12-11+
InChIKeyCAYSXSDOSSUBPS-VAWYXSNFSA-N
MW234.36 g/mol
LogP3.99
Rot. Bonds3

About 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol

1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol (PubChem CID 11020834) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
PubChem CID11020834
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
SMILESOC1(/C=C/Sc2ccccc2)CCCCC1
InChIInChI=1S/C14H18OS/c15-14(9-5-2-6-10-14)11-12-16-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,15H,2,5-6,9-10H2/b12-11+
InChIKeyCAYSXSDOSSUBPS-VAWYXSNFSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-(Bis(phenylthio)methyl)cycloheptanol
CID 361771
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
3,7-Dimethyl-5-(phenylthio)octa-1,6-dien-3-ol
CID 551454
2-Methyl-3-phenylsulfanylheptan-2-ol
CID 11160765
Cyclohexanol, 1-[1,1-bis(phenylthio)propyl]-
CID 12299362
1-(1-Phenylsulfanylethenyl)cyclopentan-1-ol
CID 15668801
cis-(1S,2S)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 10353521
3-Phenyl-3-(phenylthio)propan-1-ol
CID 12422970
trans-(1S,2R)-2-[2,2-bis(phenylsulfanyl)ethyl]-1-ethenylcyclohexan-1-ol
CID 394592
1-[Difluoro(phenylsulfanyl)methyl]cyclohexan-1-ol
CID 11230657
2-Methyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol
CID 329395

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol (CID 11020834) is 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol is OC1(/C=C/Sc2ccccc2)CCCCC1.
What is the InChIKey of 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol?
The InChIKey is CAYSXSDOSSUBPS-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H18OS/c15-14(9-5-2-6-10-14)11-12-16-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,15H,2,5-6,9-10H2/b12-11+.
What are the key properties of 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol?
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol has a molecular weight of 234.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol is sourced from PubChem (CID 11020834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).