1-butoxy-4-(4-methylcyclohexen-1-yl)benzene

C17H24O — CID 4306080

IUPAC1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
SMILESCCCCOc1ccc(C2=CCC(C)CC2)cc1
InChIInChI=1S/C17H24O/c1-3-4-13-18-17-11-9-16(10-12-17)15-7-5-14(2)6-8-15/h7,9-12,14H,3-6,8,13H2,1-2H3
InChIKeyQRJIXUVMEVFVTG-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.07
Rot. Bonds5

About 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene

1-butoxy-4-(4-methylcyclohexen-1-yl)benzene (PubChem CID 4306080) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
PubChem CID4306080
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
SMILESCCCCOc1ccc(C2=CCC(C)CC2)cc1
InChIInChI=1S/C17H24O/c1-3-4-13-18-17-11-9-16(10-12-17)15-7-5-14(2)6-8-15/h7,9-12,14H,3-6,8,13H2,1-2H3
InChIKeyQRJIXUVMEVFVTG-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.07
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

2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene
CID 20500667
1-(4-ethylcyclohexen-1-yl)-4-heptoxybenzene
CID 57220196
1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
CID 57220140
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
3-(4-butoxyphenyl)-6-methylcyclohex-2-en-1-one
CID 54007281
1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538383
2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene
CID 20500624
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538128
1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene
CID 20538245
(4-hexylphenyl) 4-[(4R)-4-methylcyclohexen-1-yl]benzoate
CID 7033411
2-[4-(4-methoxybutoxy)phenyl]-5-methylpyrimidine;1-(4-methylcyclohexen-1-yl)-4-pentylbenzene;5-methyl-2-[2-(4-pentoxyphenyl)ethyl]-1,3-dioxane
CID 91484333

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene?
The IUPAC name of 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene (CID 4306080) is 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene?
The canonical SMILES for 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene is CCCCOc1ccc(C2=CCC(C)CC2)cc1.
What is the InChIKey of 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene?
The InChIKey is QRJIXUVMEVFVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-4-13-18-17-11-9-16(10-12-17)15-7-5-14(2)6-8-15/h7,9-12,14H,3-6,8,13H2,1-2H3.
What are the key properties of 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene?
1-butoxy-4-(4-methylcyclohexen-1-yl)benzene has a molecular weight of 244.38 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-(4-methylcyclohexen-1-yl)benzene is sourced from PubChem (CID 4306080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).