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

C11H14BrClO — CID 66035628

IUPAC2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
SMILESCOc1ccc(CC(C)CCl)cc1Br
InChIInChI=1S/C11H14BrClO/c1-8(7-13)5-9-3-4-11(14-2)10(12)6-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyUIXRIILLZZJPTQ-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.88
Rot. Bonds4

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

2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene (PubChem CID 66035628) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
PubChem CID66035628
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
SMILESCOc1ccc(CC(C)CCl)cc1Br
InChIInChI=1S/C11H14BrClO/c1-8(7-13)5-9-3-4-11(14-2)10(12)6-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyUIXRIILLZZJPTQ-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

4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687
N-[(3-bromo-4-methoxyphenyl)methyl]-5-chloro-4-methylpentan-1-amine
CID 106153556
4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018947
2-bromo-4-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-1-methoxybenzene
CID 66035027
2-bromo-4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1-methoxybenzene
CID 66050769
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
CID 115779394
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66033395

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene?
The IUPAC name of 2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene (CID 66035628) is 2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene is COc1ccc(CC(C)CCl)cc1Br.
What is the InChIKey of 2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene?
The InChIKey is UIXRIILLZZJPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-8(7-13)5-9-3-4-11(14-2)10(12)6-9/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene?
2-bromo-4-(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 2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene is sourced from PubChem (CID 66035628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).