[(4-butylcyclohexyl)-chloromethyl]benzene

C17H25Cl — CID 63429103

IUPAC[(4-butylcyclohexyl)-chloromethyl]benzene
SMILESCCCCC1CCC(C(Cl)c2ccccc2)CC1
InChIInChI=1S/C17H25Cl/c1-2-3-7-14-10-12-16(13-11-14)17(18)15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3
InChIKeyJRUKPXMZAOSOFY-UHFFFAOYSA-N
MW264.84 g/mol
LogP5.96
Rot. Bonds5

About [(4-butylcyclohexyl)-chloromethyl]benzene

[(4-butylcyclohexyl)-chloromethyl]benzene (PubChem CID 63429103) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is [(4-butylcyclohexyl)-chloromethyl]benzene.

Molecular Properties

Compound Name[(4-butylcyclohexyl)-chloromethyl]benzene
PubChem CID63429103
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name[(4-butylcyclohexyl)-chloromethyl]benzene
SMILESCCCCC1CCC(C(Cl)c2ccccc2)CC1
InChIInChI=1S/C17H25Cl/c1-2-3-7-14-10-12-16(13-11-14)17(18)15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3
InChIKeyJRUKPXMZAOSOFY-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 55.96
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

[2-(4-butylcyclohexyl)-2-chloroethyl]benzene
CID 63544761
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
CID 57319762
3-[(4-butylcyclohexyl)-chloromethyl]-1-benzothiophene
CID 63432704
2-[(4-butylcyclohexyl)-chloromethyl]-5-ethylthiophene
CID 63430681
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
2-[1-(4-butylcyclohexyl)-1-chloropropan-2-yl]pyridine
CID 66459002
(4-butylcyclohexyl)-(3-methylphenyl)methanol
CID 114978020
(4-butylcyclohexyl)-(4-chlorophenyl)methanol
CID 63426121
4-bromo-2-[(4-butylcyclohexyl)-chloromethyl]-1-methoxybenzene
CID 63427364
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
3-bromo-5-[(4-butylcyclohexyl)-chloromethyl]-2-methylthiophene
CID 102835490
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979

Frequently Asked Questions

What is the IUPAC name of [(4-butylcyclohexyl)-chloromethyl]benzene?
The IUPAC name of [(4-butylcyclohexyl)-chloromethyl]benzene (CID 63429103) is [(4-butylcyclohexyl)-chloromethyl]benzene.
What is the SMILES notation for [(4-butylcyclohexyl)-chloromethyl]benzene?
The canonical SMILES for [(4-butylcyclohexyl)-chloromethyl]benzene is CCCCC1CCC(C(Cl)c2ccccc2)CC1.
What is the InChIKey of [(4-butylcyclohexyl)-chloromethyl]benzene?
The InChIKey is JRUKPXMZAOSOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-2-3-7-14-10-12-16(13-11-14)17(18)15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3.
What are the key properties of [(4-butylcyclohexyl)-chloromethyl]benzene?
[(4-butylcyclohexyl)-chloromethyl]benzene has a molecular weight of 264.84 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-butylcyclohexyl)-chloromethyl]benzene is sourced from PubChem (CID 63429103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).