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

C19H24OS — CID 13171786

IUPAC1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol
SMILESOC1(C(=C=C2CCCCC2)Sc2ccccc2)CCCC1
InChIInChI=1S/C19H24OS/c20-19(13-7-8-14-19)18(15-16-9-3-1-4-10-16)21-17-11-5-2-6-12-17/h2,5-6,11-12,20H,1,3-4,7-10,13-14H2
InChIKeyBYJXDIPCCRRPGF-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.46
Rot. Bonds3

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

1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol (PubChem CID 13171786) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol
PubChem CID13171786
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol
SMILESOC1(C(=C=C2CCCCC2)Sc2ccccc2)CCCC1
InChIInChI=1S/C19H24OS/c20-19(13-7-8-14-19)18(15-16-9-3-1-4-10-16)21-17-11-5-2-6-12-17/h2,5-6,11-12,20H,1,3-4,7-10,13-14H2
InChIKeyBYJXDIPCCRRPGF-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
3,7-Dimethyl-5-(phenylthio)octa-1,6-dien-3-ol
CID 551454
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
1-(1-Phenylsulfanylethenyl)cyclopentan-1-ol
CID 15668801
1-[Difluoro(phenylsulfanyl)methyl]cyclohexan-1-ol
CID 11230657
1-(2-Phenylsulfanylethynyl)cyclohexan-1-ol
CID 10263362
1-[Bis(phenylsulfanyl)methyl]cyclohex-2-en-1-ol
CID 10664072
Cyclopentanol, 1-[2-(phenylthio)ethyl]-
CID 10878759
(1E,3S)-3,7-dimethyl-1-phenylsulfanylocta-1,6-dien-3-ol
CID 11086581
3-Methyl-6-phenylsulfanylhept-1-en-3-ol
CID 11506945
1-(1-Phenylsulfanylethyl)cyclohexan-1-ol
CID 11736509
3,7-Dimethyl-6-phenylsulfanylocta-1,7-dien-3-ol
CID 11821428

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol?
The IUPAC name of 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol (CID 13171786) is 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol is OC1(C(=C=C2CCCCC2)Sc2ccccc2)CCCC1.
What is the InChIKey of 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol?
The InChIKey is BYJXDIPCCRRPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OS/c20-19(13-7-8-14-19)18(15-16-9-3-1-4-10-16)21-17-11-5-2-6-12-17/h2,5-6,11-12,20H,1,3-4,7-10,13-14H2.
What are the key properties of 1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol?
1-(2-cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol has a molecular weight of 300.47 g/mol, XLogP of 5.46, 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)cyclopentan-1-ol is sourced from PubChem (CID 13171786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).