1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene

C22H22 — CID 102458684

IUPAC1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene
SMILESC=Cc1ccc(C2=C(c3ccc(C=C)cc3)CCCC2)cc1
InChIInChI=1S/C22H22/c1-3-17-9-13-19(14-10-17)21-7-5-6-8-22(21)20-15-11-18(4-2)12-16-20/h3-4,9-16H,1-2,5-8H2
InChIKeyLSSOOHKTPSQVIC-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.46
Rot. Bonds4

About 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene

1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene (PubChem CID 102458684) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene
PubChem CID102458684
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene
SMILESC=Cc1ccc(C2=C(c3ccc(C=C)cc3)CCCC2)cc1
InChIInChI=1S/C22H22/c1-3-17-9-13-19(14-10-17)21-7-5-6-8-22(21)20-15-11-18(4-2)12-16-20/h3-4,9-16H,1-2,5-8H2
InChIKeyLSSOOHKTPSQVIC-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.46
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

1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-3-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclohexen-1-yl]-N-phenylaniline
CID 139426844
methylidenecyclohexane;styrene
CID 163512198
1,3,5,7-tetrakis(4-ethenylphenyl)naphthalene
CID 140790330
CID 174976037
CID 174976037
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
cyclopropane;styrene
CID 173239473
1-ethenyl-4-methylbenzene;methane
CID 142136023
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1-(4-ethenylphenyl)-2,3,4,5,6-pentafluorobenzene
CID 102498267
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 100913685
1-ethenyl-4-methylbenzene;methanamine
CID 23466173

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene?
The IUPAC name of 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene (CID 102458684) is 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene is C=Cc1ccc(C2=C(c3ccc(C=C)cc3)CCCC2)cc1.
What is the InChIKey of 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene?
The InChIKey is LSSOOHKTPSQVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-3-17-9-13-19(14-10-17)21-7-5-6-8-22(21)20-15-11-18(4-2)12-16-20/h3-4,9-16H,1-2,5-8H2.
What are the key properties of 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene?
1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene has a molecular weight of 286.42 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 102458684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).