1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene

C23H24 — CID 59929165

IUPAC1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene
SMILESC=CC1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C23H24/c1-3-19-10-14-22(15-11-19)23-16-12-21(13-17-23)9-8-20-6-4-18(2)5-7-20/h3-7,12-13,16-17,19,22H,1,10-11,14-15H2,2H3
InChIKeyIZDNMYNVRQMYKP-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.85
Rot. Bonds2

About 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene

1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene (PubChem CID 59929165) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene
PubChem CID59929165
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene
SMILESC=CC1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C23H24/c1-3-19-10-14-22(15-11-19)23-16-12-21(13-17-23)9-8-20-6-4-18(2)5-7-20/h3-7,12-13,16-17,19,22H,1,10-11,14-15H2,2H3
InChIKeyIZDNMYNVRQMYKP-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
CID 173280840
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
CID 161187621
1-(4-but-3-enylcyclohexyl)-4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
CID 140998010
CID 59940176
CID 59940176
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;ethyl(methyl)phosphane;molecular hydrogen
CID 158183639
1-[4-[(E)-2-(4-but-3-enylcyclohexyl)ethenyl]cyclohexyl]-4-methylbenzene
CID 163625490
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 159401504
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-(4-but-1-enylcyclohexyl)-4-methylbenzene
CID 123937808

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene?
The IUPAC name of 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene (CID 59929165) is 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene is C=CC1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene?
The InChIKey is IZDNMYNVRQMYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-3-19-10-14-22(15-11-19)23-16-12-21(13-17-23)9-8-20-6-4-18(2)5-7-20/h3-7,12-13,16-17,19,22H,1,10-11,14-15H2,2H3.
What are the key properties of 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene?
1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene has a molecular weight of 300.45 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene is sourced from PubChem (CID 59929165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).