2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene

C18H26BrClO — CID 64767519

IUPAC2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CC(C)(C)C1CCC(C)CC1Br
InChIInChI=1S/C18H26BrClO/c1-12-5-7-15(16(19)9-12)18(2,3)11-13-10-14(20)6-8-17(13)21-4/h6,8,10,12,15-16H,5,7,9,11H2,1-4H3
InChIKeyGGWAONZQGPPOAI-UHFFFAOYSA-N
MW373.76 g/mol
LogP6.12
Rot. Bonds4

About 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene

2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene (PubChem CID 64767519) has the molecular formula C18H26BrClO and a molecular weight of 373.76 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene
PubChem CID64767519
Molecular FormulaC18H26BrClO
Molecular Weight373.76 g/mol
Exact Mass372.09
IUPAC Name2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CC(C)(C)C1CCC(C)CC1Br
InChIInChI=1S/C18H26BrClO/c1-12-5-7-15(16(19)9-12)18(2,3)11-13-10-14(20)6-8-17(13)21-4/h6,8,10,12,15-16H,5,7,9,11H2,1-4H3
InChIKeyGGWAONZQGPPOAI-UHFFFAOYSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.76
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765911
1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-2-chloro-3-fluorobenzene
CID 115984393
2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1,3-dichlorobenzene
CID 64767524
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151151
2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 64908394
1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene
CID 64766276
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148269
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
N-tert-butyl-3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83150527
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 65153588
3-bromo-8-[(5-chloro-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 80669272

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene (CID 64767519) is 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1CC(C)(C)C1CCC(C)CC1Br.
What is the InChIKey of 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene?
The InChIKey is GGWAONZQGPPOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrClO/c1-12-5-7-15(16(19)9-12)18(2,3)11-13-10-14(20)6-8-17(13)21-4/h6,8,10,12,15-16H,5,7,9,11H2,1-4H3.
What are the key properties of 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene?
2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene has a molecular weight of 373.76 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 64767519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).