1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol

C15H20OS — CID 134932973

IUPAC1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol
SMILESCS/C(=C\c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C15H20OS/c1-17-14(12-13-8-4-2-5-9-13)15(16)10-6-3-7-11-15/h2,4-5,8-9,12,16H,3,6-7,10-11H2,1H3/b14-12-
InChIKeyFBHKAVSOTIOWFS-OWBHPGMISA-N
MW248.39 g/mol
LogP4.09
Rot. Bonds3

About 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol

1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol (PubChem CID 134932973) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol
PubChem CID134932973
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol
SMILESCS/C(=C\c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C15H20OS/c1-17-14(12-13-8-4-2-5-9-13)15(16)10-6-3-7-11-15/h2,4-5,8-9,12,16H,3,6-7,10-11H2,1H3/b14-12-
InChIKeyFBHKAVSOTIOWFS-OWBHPGMISA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one
CID 770257
(2-bromo-2-methylsulfanylethenyl)benzene
CID 71358341
[(E)-2-bromo-2-methylsulfanylethenyl]benzene
CID 11770236
[(E)-2-methylsulfanylbut-1-enyl]benzene
CID 134994915
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
[(E)-[(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-enylidene]amino]urea
CID 5338692
ethane;1-phenylcyclohexan-1-ol
CID 144640846
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol
CID 102581061
1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol
CID 71360128
1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol
CID 23267885
1-hydroxycyclohexane-1-carbaldehyde;styrene
CID 174375835

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol?
The IUPAC name of 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol (CID 134932973) is 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol is CS/C(=C\c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol?
The InChIKey is FBHKAVSOTIOWFS-OWBHPGMISA-N. The full InChI is InChI=1S/C15H20OS/c1-17-14(12-13-8-4-2-5-9-13)15(16)10-6-3-7-11-15/h2,4-5,8-9,12,16H,3,6-7,10-11H2,1H3/b14-12-.
What are the key properties of 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol?
1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol has a molecular weight of 248.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol is sourced from PubChem (CID 134932973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).