1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene

C20H22 — CID 168854089

IUPAC1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene
SMILESC(=C/c1cccc(C2CCCCC2)c1)\c1ccccc1
InChIInChI=1S/C20H22/c1-3-8-17(9-4-1)14-15-18-10-7-13-20(16-18)19-11-5-2-6-12-19/h1,3-4,7-10,13-16,19H,2,5-6,11-12H2/b15-14+
InChIKeyWBIFFMSSWUZOPJ-CCEZHUSRSA-N
MW262.40 g/mol
LogP5.90
Rot. Bonds3

About 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene

1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene (PubChem CID 168854089) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene
PubChem CID168854089
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene
SMILESC(=C/c1cccc(C2CCCCC2)c1)\c1ccccc1
InChIInChI=1S/C20H22/c1-3-8-17(9-4-1)14-15-18-10-7-13-20(16-18)19-11-5-2-6-12-19/h1,3-4,7-10,13-16,19H,2,5-6,11-12H2/b15-14+
InChIKeyWBIFFMSSWUZOPJ-CCEZHUSRSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene (CID 168854089) is 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene is C(=C/c1cccc(C2CCCCC2)c1)\c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene?
The InChIKey is WBIFFMSSWUZOPJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H22/c1-3-8-17(9-4-1)14-15-18-10-7-13-20(16-18)19-11-5-2-6-12-19/h1,3-4,7-10,13-16,19H,2,5-6,11-12H2/b15-14+.
What are the key properties of 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene?
1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene has a molecular weight of 262.40 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 168854089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).