1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol

C14H17BrOS — CID 11483798

IUPAC1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol
SMILESOC1(/C(Br)=C/Sc2ccccc2)CCCCC1
InChIInChI=1S/C14H17BrOS/c15-13(14(16)9-5-2-6-10-14)11-17-12-7-3-1-4-8-12/h1,3-4,7-8,11,16H,2,5-6,9-10H2/b13-11-
InChIKeyXNLKQHCIHBTOLU-QBFSEMIESA-N
MW313.26 g/mol
LogP4.71
Rot. Bonds3

About 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol

1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol (PubChem CID 11483798) has the molecular formula C14H17BrOS and a molecular weight of 313.26 g/mol. Its IUPAC name is 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol
PubChem CID11483798
Molecular FormulaC14H17BrOS
Molecular Weight313.26 g/mol
Exact Mass312.02
IUPAC Name1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol
SMILESOC1(/C(Br)=C/Sc2ccccc2)CCCCC1
InChIInChI=1S/C14H17BrOS/c15-13(14(16)9-5-2-6-10-14)11-17-12-7-3-1-4-8-12/h1,3-4,7-8,11,16H,2,5-6,9-10H2/b13-11-
InChIKeyXNLKQHCIHBTOLU-QBFSEMIESA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 54.71
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
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
cis-(1S,2S)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 10353521
1-(2-Phenylsulfanylethynyl)cyclohexan-1-ol
CID 10263362
(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11231510
(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol
CID 11266584
5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol
CID 11279764
(Z)-2-bromo-3,5-dimethyl-1-phenylsulfanylhex-1-en-3-ol
CID 11427034
(Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
CID 11461194
(Z)-3-bromo-2-methyl-4-phenylsulfanylbut-3-en-2-ol
CID 11471287
6-[(Z)-1-bromo-2-phenylsulfanylethenyl]undecan-6-ol
CID 11474616

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol?
The IUPAC name of 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol (CID 11483798) is 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol is OC1(/C(Br)=C/Sc2ccccc2)CCCCC1.
What is the InChIKey of 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol?
The InChIKey is XNLKQHCIHBTOLU-QBFSEMIESA-N. The full InChI is InChI=1S/C14H17BrOS/c15-13(14(16)9-5-2-6-10-14)11-17-12-7-3-1-4-8-12/h1,3-4,7-8,11,16H,2,5-6,9-10H2/b13-11-.
What are the key properties of 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol?
1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol has a molecular weight of 313.26 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol is sourced from PubChem (CID 11483798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).