1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene

C19H30O — CID 59545229

IUPAC1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
SMILESCCCCOc1cccc(CCC2CCC(C)CC2)c1
InChIInChI=1S/C19H30O/c1-3-4-14-20-19-7-5-6-18(15-19)13-12-17-10-8-16(2)9-11-17/h5-7,15-17H,3-4,8-14H2,1-2H3
InChIKeyNWWWCBWCVMSRLP-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.62
Rot. Bonds7

About 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene

1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene (PubChem CID 59545229) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
PubChem CID59545229
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
SMILESCCCCOc1cccc(CCC2CCC(C)CC2)c1
InChIInChI=1S/C19H30O/c1-3-4-14-20-19-7-5-6-18(15-19)13-12-17-10-8-16(2)9-11-17/h5-7,15-17H,3-4,8-14H2,1-2H3
InChIKeyNWWWCBWCVMSRLP-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.62
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-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 19739078
3-[2-(4-methylcyclohexyl)ethyl]aniline
CID 86029509
1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene
CID 166443409
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604
1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777
1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 130438477
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-(3-cyclohexylpropyl)-3-ethoxybenzene
CID 91039884
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
1-butoxy-4-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 67865149

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene (CID 59545229) is 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene is CCCCOc1cccc(CCC2CCC(C)CC2)c1.
What is the InChIKey of 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene?
The InChIKey is NWWWCBWCVMSRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-3-4-14-20-19-7-5-6-18(15-19)13-12-17-10-8-16(2)9-11-17/h5-7,15-17H,3-4,8-14H2,1-2H3.
What are the key properties of 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene?
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene has a molecular weight of 274.45 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 59545229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).