1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol

C20H26OS — CID 13171785

IUPAC1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol
SMILESOC1(C(=C=C2CCCCC2)Sc2ccccc2)CCCCC1
InChIInChI=1S/C20H26OS/c21-20(14-8-3-9-15-20)19(16-17-10-4-1-5-11-17)22-18-12-6-2-7-13-18/h2,6-7,12-13,21H,1,3-5,8-11,14-15H2
InChIKeyQUALSXATWSAAEA-UHFFFAOYSA-N
MW314.49 g/mol
LogP5.85
Rot. Bonds3

About 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol

1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol (PubChem CID 13171785) has the molecular formula C20H26OS and a molecular weight of 314.49 g/mol. Its IUPAC name is 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol
PubChem CID13171785
Molecular FormulaC20H26OS
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Name1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol
SMILESOC1(C(=C=C2CCCCC2)Sc2ccccc2)CCCCC1
InChIInChI=1S/C20H26OS/c21-20(14-8-3-9-15-20)19(16-17-10-4-1-5-11-17)22-18-12-6-2-7-13-18/h2,6-7,12-13,21H,1,3-5,8-11,14-15H2
InChIKeyQUALSXATWSAAEA-UHFFFAOYSA-N
XLogP5.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
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
Cyclohexanol, 1-[1,1-bis(phenylthio)propyl]-
CID 12299362
1-(1-Phenylsulfanylethenyl)cyclopentan-1-ol
CID 15668801
trans-(1R,2R)-1-(phenylsulfanylmethyl)-2-[(E)-3-phenylsulfanylprop-2-enyl]cyclohexan-1-ol
CID 135078825
cis-(1S,2S)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 10353521
cis-(1R,2R)-2-[2,2-bis(phenylsulfanyl)ethyl]-1-prop-1-en-2-ylcyclohexan-1-ol
CID 394591
trans-(1S,2R)-2-[2,2-bis(phenylsulfanyl)ethyl]-1-ethenylcyclohexan-1-ol
CID 394592
1-[Difluoro(phenylsulfanyl)methyl]cyclohexan-1-ol
CID 11230657
1-(2-Phenylsulfanylethynyl)cyclohexan-1-ol
CID 10263362

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol (CID 13171785) is 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol is OC1(C(=C=C2CCCCC2)Sc2ccccc2)CCCCC1.
What is the InChIKey of 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol?
The InChIKey is QUALSXATWSAAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OS/c21-20(14-8-3-9-15-20)19(16-17-10-4-1-5-11-17)22-18-12-6-2-7-13-18/h2,6-7,12-13,21H,1,3-5,8-11,14-15H2.
What are the key properties of 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol?
1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol has a molecular weight of 314.49 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol is sourced from PubChem (CID 13171785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).