1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene

C19H22BrCl — CID 107182469

IUPAC1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
SMILESCC1(C)CCCCC1C(Br)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H22BrCl/c1-19(2)12-6-5-9-16(19)18(20)15-10-11-17(21)14-8-4-3-7-13(14)15/h3-4,7-8,10-11,16,18H,5-6,9,12H2,1-2H3
InChIKeyZJSLTBIJHMAFBQ-UHFFFAOYSA-N
MW365.74 g/mol
LogP7.15
Rot. Bonds2

About 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene

1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene (PubChem CID 107182469) has the molecular formula C19H22BrCl and a molecular weight of 365.74 g/mol. Its IUPAC name is 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene.

Molecular Properties

Compound Name1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
PubChem CID107182469
Molecular FormulaC19H22BrCl
Molecular Weight365.74 g/mol
Exact Mass364.06
IUPAC Name1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
SMILESCC1(C)CCCCC1C(Br)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H22BrCl/c1-19(2)12-6-5-9-16(19)18(20)15-10-11-17(21)14-8-4-3-7-13(14)15/h3-4,7-8,10-11,16,18H,5-6,9,12H2,1-2H3
InChIKeyZJSLTBIJHMAFBQ-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 57.15
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-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
CID 107182431
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107182571
3-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dichlorothiophene
CID 107182289
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methyloxolane
CID 81327702
1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
CID 79597680
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
CID 107182393
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene
CID 107182433
3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol
CID 107185223
1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene
CID 79597392
1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene
CID 107182405
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
(4-chloronaphthalen-1-yl)-cyclohexylmethanamine
CID 79596753

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene?
The IUPAC name of 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene (CID 107182469) is 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene.
What is the SMILES notation for 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene?
The canonical SMILES for 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene is CC1(C)CCCCC1C(Br)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene?
The InChIKey is ZJSLTBIJHMAFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrCl/c1-19(2)12-6-5-9-16(19)18(20)15-10-11-17(21)14-8-4-3-7-13(14)15/h3-4,7-8,10-11,16,18H,5-6,9,12H2,1-2H3.
What are the key properties of 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene?
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene has a molecular weight of 365.74 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene is sourced from PubChem (CID 107182469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).