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

C11H14BrClO — CID 66033395

IUPAC4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CC(C)CCl
InChIInChI=1S/C11H14BrClO/c1-8(7-13)5-9-6-10(12)3-4-11(9)14-2/h3-4,6,8H,5,7H2,1-2H3
InChIKeyGWSXDILQGVERSH-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.88
Rot. Bonds4

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

4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene (PubChem CID 66033395) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
PubChem CID66033395
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CC(C)CCl
InChIInChI=1S/C11H14BrClO/c1-8(7-13)5-9-6-10(12)3-4-11(9)14-2/h3-4,6,8H,5,7H2,1-2H3
InChIKeyGWSXDILQGVERSH-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.88
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

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1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(2-benzyl-3-chloropropyl)-4-bromo-1-methoxybenzene
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4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
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1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-(5-bromo-2-methoxyphenyl)-4-methylpentane-2,3-diol
CID 103456639
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
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1-(5-bromo-2-methoxyphenyl)-2-methylheptan-4-one
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N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
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2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66035628

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene (CID 66033395) is 4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene is COc1ccc(Br)cc1CC(C)CCl.
What is the InChIKey of 4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene?
The InChIKey is GWSXDILQGVERSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-8(7-13)5-9-6-10(12)3-4-11(9)14-2/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene?
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene has a molecular weight of 277.59 g/mol, XLogP of 3.88, 4 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-methylpropyl)-1-methoxybenzene is sourced from PubChem (CID 66033395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).