1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene

C17H25Cl — CID 55224451

IUPAC1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)CCC1CCCCC1
InChIInChI=1S/C17H25Cl/c1-14-7-5-6-10-16(14)13-17(18)12-11-15-8-3-2-4-9-15/h5-7,10,15,17H,2-4,8-9,11-13H2,1H3
InChIKeySEIUUWDPNIFNHX-UHFFFAOYSA-N
MW264.84 g/mol
LogP5.51
Rot. Bonds5

About 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene

1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene (PubChem CID 55224451) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene
PubChem CID55224451
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)CCC1CCCCC1
InChIInChI=1S/C17H25Cl/c1-14-7-5-6-10-16(14)13-17(18)12-11-15-8-3-2-4-9-15/h5-7,10,15,17H,2-4,8-9,11-13H2,1H3
InChIKeySEIUUWDPNIFNHX-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
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

1-(2-chloro-4-cyclohexylbutyl)-2-nitrobenzene
CID 63519722
[1-chloro-2-(2-methylphenyl)ethyl]cycloheptane
CID 63543365
1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
CID 63542153
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
CID 63015916
1-(2-chlorotridecyl)-2-methylbenzene
CID 65426616
[3-cyclohexyl-1-(2-methylphenyl)propyl]hydrazine
CID 105286051
1-(2-chloro-4-methylpentyl)-2-methylbenzene
CID 63544752
1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene
CID 63543691
[1-cyclopropyl-5-(2-methylphenyl)pentan-3-yl]hydrazine
CID 105315024
2-(2-chloro-4-cyclopentylbutyl)-1,3-benzothiazole
CID 66460945
[1-cyclobutyl-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105208383

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene?
The IUPAC name of 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene (CID 55224451) is 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene?
The canonical SMILES for 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene is Cc1ccccc1CC(Cl)CCC1CCCCC1.
What is the InChIKey of 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene?
The InChIKey is SEIUUWDPNIFNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-14-7-5-6-10-16(14)13-17(18)12-11-15-8-3-2-4-9-15/h5-7,10,15,17H,2-4,8-9,11-13H2,1H3.
What are the key properties of 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene?
1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene has a molecular weight of 264.84 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene is sourced from PubChem (CID 55224451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).