1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol

C14H18O2S — CID 101088183

IUPAC1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol
SMILESO=S(/C=C/C1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C14H18O2S/c15-14(9-5-2-6-10-14)11-12-17(16)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,15H,2,5-6,9-10H2/b12-11+
InChIKeyXIUFFEPHQWZNLQ-VAWYXSNFSA-N
MW250.36 g/mol
LogP3.00
Rot. Bonds3

About 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol

1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol (PubChem CID 101088183) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol
PubChem CID101088183
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol
SMILESO=S(/C=C/C1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C14H18O2S/c15-14(9-5-2-6-10-14)11-12-17(16)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,15H,2,5-6,9-10H2/b12-11+
InChIKeyXIUFFEPHQWZNLQ-VAWYXSNFSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol (CID 101088183) is 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol is O=S(/C=C/C1(O)CCCCC1)c1ccccc1.
What is the InChIKey of 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol?
The InChIKey is XIUFFEPHQWZNLQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H18O2S/c15-14(9-5-2-6-10-14)11-12-17(16)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,15H,2,5-6,9-10H2/b12-11+.
What are the key properties of 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol?
1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol is sourced from PubChem (CID 101088183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).