1-(1-phenylsulfanylethenyl)cyclohexan-1-ol

C14H18OS — CID 15442002

IUPAC1-(1-phenylsulfanylethenyl)cyclohexan-1-ol
SMILESC=C(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H18OS/c1-12(14(15)10-6-3-7-11-14)16-13-8-4-2-5-9-13/h2,4-5,8-9,15H,1,3,6-7,10-11H2
InChIKeyXQQVZYLGFVTUHR-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.99
Rot. Bonds3

About 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol

1-(1-phenylsulfanylethenyl)cyclohexan-1-ol (PubChem CID 15442002) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-phenylsulfanylethenyl)cyclohexan-1-ol
PubChem CID15442002
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-(1-phenylsulfanylethenyl)cyclohexan-1-ol
SMILESC=C(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H18OS/c1-12(14(15)10-6-3-7-11-14)16-13-8-4-2-5-9-13/h2,4-5,8-9,15H,1,3,6-7,10-11H2
InChIKeyXQQVZYLGFVTUHR-UHFFFAOYSA-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

Analyze 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
2-Methyl-3-phenylsulfanylheptan-2-ol
CID 11160765
1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
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
1-[Difluoro(phenylsulfanyl)methyl]cyclohexan-1-ol
CID 11230657
3-(2-Fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 143624673

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol (CID 15442002) is 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol is C=C(Sc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol?
The InChIKey is XQQVZYLGFVTUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-12(14(15)10-6-3-7-11-14)16-13-8-4-2-5-9-13/h2,4-5,8-9,15H,1,3,6-7,10-11H2.
What are the key properties of 1-(1-phenylsulfanylethenyl)cyclohexan-1-ol?
1-(1-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-(1-phenylsulfanylethenyl)cyclohexan-1-ol is sourced from PubChem (CID 15442002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).