1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene

C23H30O — CID 143036080

IUPAC1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
SMILESCOc1cccc(C2CCC(CCCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H30O/c1-24-23-13-7-12-22(18-23)21-16-14-20(15-17-21)11-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,12-13,18,20-21H,5-6,10-11,14-17H2,1H3
InChIKeyWGYSRNINBUUVPS-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.38
Rot. Bonds7

About 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene

1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene (PubChem CID 143036080) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
PubChem CID143036080
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
SMILESCOc1cccc(C2CCC(CCCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H30O/c1-24-23-13-7-12-22(18-23)21-16-14-20(15-17-21)11-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,12-13,18,20-21H,5-6,10-11,14-17H2,1H3
InChIKeyWGYSRNINBUUVPS-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
4-cyclopropylbutylbenzene
CID 10261592
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
5-cyclopropylpentylbenzene
CID 91089836
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163
[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-methoxy-3-(4-methylidenecyclohexyl)benzene
CID 89380194
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene?
The IUPAC name of 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene (CID 143036080) is 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene?
The canonical SMILES for 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene is COc1cccc(C2CCC(CCCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene?
The InChIKey is WGYSRNINBUUVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-24-23-13-7-12-22(18-23)21-16-14-20(15-17-21)11-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,12-13,18,20-21H,5-6,10-11,14-17H2,1H3.
What are the key properties of 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene?
1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene has a molecular weight of 322.49 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene is sourced from PubChem (CID 143036080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).