1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene

C19H29Cl — CID 63431518

IUPAC1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
SMILESCCCCc1ccc(C(Cl)CCC2CCCCC2)cc1
InChIInChI=1S/C19H29Cl/c1-2-3-7-17-10-13-18(14-11-17)19(20)15-12-16-8-5-4-6-9-16/h10-11,13-14,16,19H,2-9,12,15H2,1H3
InChIKeyDLYKJOMSYYGSGI-UHFFFAOYSA-N
MW292.89 g/mol
LogP6.67
Rot. Bonds7

About 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene

1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene (PubChem CID 63431518) has the molecular formula C19H29Cl and a molecular weight of 292.89 g/mol. Its IUPAC name is 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
PubChem CID63431518
Molecular FormulaC19H29Cl
Molecular Weight292.89 g/mol
Exact Mass292.20
IUPAC Name1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
SMILESCCCCc1ccc(C(Cl)CCC2CCCCC2)cc1
InChIInChI=1S/C19H29Cl/c1-2-3-7-17-10-13-18(14-11-17)19(20)15-12-16-8-5-4-6-9-16/h10-11,13-14,16,19H,2-9,12,15H2,1H3
InChIKeyDLYKJOMSYYGSGI-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.89
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-(1-chloro-4-cyclohexylbutyl)phenyl]butanoate
CID 10712884
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
3-cyclopentyl-1-(4-propylphenyl)propan-1-amine
CID 43106075
2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
CID 65157757
1-[chloro(cyclohexyl)methyl]-4-propylbenzene
CID 63432346
1-butyl-4-(1-chloro-3-methylbutyl)benzene
CID 63431905
1-(1-chloroheptyl)-4-propylbenzene
CID 114753506
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
1-(4-butylphenyl)-N'-cyclohexylmethanediamine
CID 175117275
1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene
CID 63431901
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene?
The IUPAC name of 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene (CID 63431518) is 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene.
What is the SMILES notation for 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene?
The canonical SMILES for 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene is CCCCc1ccc(C(Cl)CCC2CCCCC2)cc1.
What is the InChIKey of 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene?
The InChIKey is DLYKJOMSYYGSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl/c1-2-3-7-17-10-13-18(14-11-17)19(20)15-12-16-8-5-4-6-9-16/h10-11,13-14,16,19H,2-9,12,15H2,1H3.
What are the key properties of 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene?
1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene has a molecular weight of 292.89 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene is sourced from PubChem (CID 63431518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).