2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene

C12H16Br2O — CID 63436190

IUPAC2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene
SMILESCCC(C)C(Br)c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H16Br2O/c1-4-8(2)12(14)9-5-6-11(15-3)10(13)7-9/h5-8,12H,4H2,1-3H3
InChIKeyUTWFJRMBDNJLPY-UHFFFAOYSA-N
MW336.07 g/mol
LogP4.94
Rot. Bonds4

About 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene

2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene (PubChem CID 63436190) has the molecular formula C12H16Br2O and a molecular weight of 336.07 g/mol. Its IUPAC name is 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene
PubChem CID63436190
Molecular FormulaC12H16Br2O
Molecular Weight336.07 g/mol
Exact Mass333.96
IUPAC Name2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene
SMILESCCC(C)C(Br)c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H16Br2O/c1-4-8(2)12(14)9-5-6-11(15-3)10(13)7-9/h5-8,12H,4H2,1-3H3
InChIKeyUTWFJRMBDNJLPY-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 54.94
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-(1-bromo-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61098601
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene
CID 104662044
2-bromo-4-(1-bromodecyl)-1-methoxybenzene
CID 65426016
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene?
The IUPAC name of 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene (CID 63436190) is 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene is CCC(C)C(Br)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene?
The InChIKey is UTWFJRMBDNJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O/c1-4-8(2)12(14)9-5-6-11(15-3)10(13)7-9/h5-8,12H,4H2,1-3H3.
What are the key properties of 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene?
2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene has a molecular weight of 336.07 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene is sourced from PubChem (CID 63436190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).