1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene

C18H28O — CID 130438477

IUPAC1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene
SMILESCCCCOc1ccc(CC2CCC(C)CC2)cc1
InChIInChI=1S/C18H28O/c1-3-4-13-19-18-11-9-17(10-12-18)14-16-7-5-15(2)6-8-16/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyGDKJQXRXOKJWCM-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.23
Rot. Bonds6

About 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene

1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene (PubChem CID 130438477) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene
PubChem CID130438477
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene
SMILESCCCCOc1ccc(CC2CCC(C)CC2)cc1
InChIInChI=1S/C18H28O/c1-3-4-13-19-18-11-9-17(10-12-18)14-16-7-5-15(2)6-8-16/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyGDKJQXRXOKJWCM-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.23
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-ethoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 134391078
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene
CID 130375964
1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 19739078
1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene
CID 19738810
1-ethyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739084
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene
CID 59265507
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
2-[(4-pentoxyphenyl)methyl]oxirane
CID 173250908

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene (CID 130438477) is 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene is CCCCOc1ccc(CC2CCC(C)CC2)cc1.
What is the InChIKey of 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene?
The InChIKey is GDKJQXRXOKJWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-4-13-19-18-11-9-17(10-12-18)14-16-7-5-15(2)6-8-16/h9-12,15-16H,3-8,13-14H2,1-2H3.
What are the key properties of 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene?
1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene has a molecular weight of 260.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 130438477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).