1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene

C17H25Cl — CID 63432566

IUPAC1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
SMILESCC(C)(C)C(Cl)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H25Cl/c1-17(2,3)16(18)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h9-13,16H,4-8H2,1-3H3
InChIKeyDBEYOJUCNMPOBF-UHFFFAOYSA-N
MW264.84 g/mol
LogP6.06
Rot. Bonds2

About 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene

1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene (PubChem CID 63432566) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene.

Molecular Properties

Compound Name1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
PubChem CID63432566
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
SMILESCC(C)(C)C(Cl)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H25Cl/c1-17(2,3)16(18)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h9-13,16H,4-8H2,1-3H3
InChIKeyDBEYOJUCNMPOBF-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 56.06
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-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
CID 89089279
2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
CID 116907408
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
(4-cyclohexylphenyl)-(dimethylamino)methanethiol
CID 116909382
3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
CID 123497840
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene
CID 23566418

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene?
The IUPAC name of 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene (CID 63432566) is 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene.
What is the SMILES notation for 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene?
The canonical SMILES for 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene is CC(C)(C)C(Cl)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene?
The InChIKey is DBEYOJUCNMPOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-17(2,3)16(18)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h9-13,16H,4-8H2,1-3H3.
What are the key properties of 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene?
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene has a molecular weight of 264.84 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene is sourced from PubChem (CID 63432566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).