4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene

C14H18BrClO — CID 83151167

IUPAC4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CC(C)(CCl)C1CC1
InChIInChI=1S/C14H18BrClO/c1-14(9-16,11-3-4-11)8-10-7-12(15)5-6-13(10)17-2/h5-7,11H,3-4,8-9H2,1-2H3
InChIKeyCIKZDYRJFIJGNH-UHFFFAOYSA-N
MW317.65 g/mol
LogP4.66
Rot. Bonds5

About 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene

4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene (PubChem CID 83151167) has the molecular formula C14H18BrClO and a molecular weight of 317.65 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
PubChem CID83151167
Molecular FormulaC14H18BrClO
Molecular Weight317.65 g/mol
Exact Mass316.02
IUPAC Name4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CC(C)(CCl)C1CC1
InChIInChI=1S/C14H18BrClO/c1-14(9-16,11-3-4-11)8-10-7-12(15)5-6-13(10)17-2/h5-7,11H,3-4,8-9H2,1-2H3
InChIKeyCIKZDYRJFIJGNH-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 54.66
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

3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151485
2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene
CID 83151729
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151151
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
2-cyclopropyl-N-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 83150816
N-tert-butyl-3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83150527
3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564975
2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765911
N-[2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641210
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
CID 83844871

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene (CID 83151167) is 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene is COc1ccc(Br)cc1CC(C)(CCl)C1CC1.
What is the InChIKey of 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene?
The InChIKey is CIKZDYRJFIJGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO/c1-14(9-16,11-3-4-11)8-10-7-12(15)5-6-13(10)17-2/h5-7,11H,3-4,8-9H2,1-2H3.
What are the key properties of 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene?
4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene has a molecular weight of 317.65 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene is sourced from PubChem (CID 83151167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).