1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene

C24H26 — CID 173280840

IUPAC1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
SMILESC/C=C\C1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C24H26/c1-3-4-20-11-15-23(16-12-20)24-17-13-22(14-18-24)10-9-21-7-5-19(2)6-8-21/h3-8,13-14,17-18,20,23H,11-12,15-16H2,1-2H3/b4-3-
InChIKeyVAOXPNZUYHKFBG-ARJAWSKDSA-N
MW314.47 g/mol
LogP6.24
Rot. Bonds2

About 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene

1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene (PubChem CID 173280840) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
PubChem CID173280840
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
SMILESC/C=C\C1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C24H26/c1-3-4-20-11-15-23(16-12-20)24-17-13-22(14-18-24)10-9-21-7-5-19(2)6-8-21/h3-8,13-14,17-18,20,23H,11-12,15-16H2,1-2H3/b4-3-
InChIKeyVAOXPNZUYHKFBG-ARJAWSKDSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.24
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-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene
CID 59929165
1-methyl-4-[2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene
CID 20588787
1-(4-but-1-enylcyclohexyl)-4-methylbenzene
CID 123937808
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 90684814
CID 59940176
CID 59940176
1-fluoro-2-isothiocyanato-3-prop-1-en-2-yl-5-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
CID 155300761
1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
2-[4-[2-(3,5-difluoro-4-methylphenyl)ethynyl]phenyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867340
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 59638896
1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen
CID 160964555
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 144806030
4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid
CID 19938016

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene?
The IUPAC name of 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene (CID 173280840) is 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene?
The canonical SMILES for 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene is C/C=C\C1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene?
The InChIKey is VAOXPNZUYHKFBG-ARJAWSKDSA-N. The full InChI is InChI=1S/C24H26/c1-3-4-20-11-15-23(16-12-20)24-17-13-22(14-18-24)10-9-21-7-5-19(2)6-8-21/h3-8,13-14,17-18,20,23H,11-12,15-16H2,1-2H3/b4-3-.
What are the key properties of 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene?
1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene has a molecular weight of 314.47 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene is sourced from PubChem (CID 173280840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).