1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene

C25H32O — CID 59288380

IUPAC1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene
SMILESC=CCCC1CCC(c2ccc(-c3ccc(OC)c(C)c3C)cc2)CC1
InChIInChI=1S/C25H32O/c1-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-17-25(26-4)19(3)18(24)2/h5,12-17,20-21H,1,6-11H2,2-4H3
InChIKeyNAKNRDBCJFKZLR-UHFFFAOYSA-N
MW348.53 g/mol
LogP7.22
Rot. Bonds6

About 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene

1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene (PubChem CID 59288380) has the molecular formula C25H32O and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene
PubChem CID59288380
Molecular FormulaC25H32O
Molecular Weight348.53 g/mol
Exact Mass348.25
IUPAC Name1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene
SMILESC=CCCC1CCC(c2ccc(-c3ccc(OC)c(C)c3C)cc2)CC1
InChIInChI=1S/C25H32O/c1-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-17-25(26-4)19(3)18(24)2/h5,12-17,20-21H,1,6-11H2,2-4H3
InChIKeyNAKNRDBCJFKZLR-UHFFFAOYSA-N
XLogP7.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 67730159
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321
1-(4-but-3-enylcyclohexyl)-4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
CID 140998010
1-[4-[(E)-2-(4-but-3-enylcyclohexyl)ethenyl]cyclohexyl]-4-methylbenzene
CID 163625490
4-[4-[4-(4-but-3-enylcyclohexyl)phenyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459506
1-[4-[4-[(E)-4-(4-but-3-enylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886192
1-[[4-[4-(4-but-3-enylcyclohexyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 154607274
4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene
CID 140843040
4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459502
1-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]phenyl]-4-butoxy-2,3-difluorobenzene
CID 67730090
5-(4-but-3-enylcyclohexyl)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]oxane
CID 58021374
2-(4-but-3-enylcyclohexyl)-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]oxane
CID 58021384

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene?
The IUPAC name of 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene (CID 59288380) is 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene.
What is the SMILES notation for 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene?
The canonical SMILES for 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene is C=CCCC1CCC(c2ccc(-c3ccc(OC)c(C)c3C)cc2)CC1.
What is the InChIKey of 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene?
The InChIKey is NAKNRDBCJFKZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O/c1-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-17-25(26-4)19(3)18(24)2/h5,12-17,20-21H,1,6-11H2,2-4H3.
What are the key properties of 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene?
1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene has a molecular weight of 348.53 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene is sourced from PubChem (CID 59288380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).