1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene

C14H20Br2O2 — CID 105057365

IUPAC1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
SMILESCCC(CC)C(Br)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C14H20Br2O2/c1-5-9(6-2)14(16)10-7-13(18-4)11(15)8-12(10)17-3/h7-9,14H,5-6H2,1-4H3
InChIKeyYMCZRSIBBFZEGH-UHFFFAOYSA-N
MW380.12 g/mol
LogP5.34
Rot. Bonds6

About 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene

1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene (PubChem CID 105057365) has the molecular formula C14H20Br2O2 and a molecular weight of 380.12 g/mol. Its IUPAC name is 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
PubChem CID105057365
Molecular FormulaC14H20Br2O2
Molecular Weight380.12 g/mol
Exact Mass377.98
IUPAC Name1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
SMILESCCC(CC)C(Br)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C14H20Br2O2/c1-5-9(6-2)14(16)10-7-13(18-4)11(15)8-12(10)17-3/h7-9,14H,5-6H2,1-4H3
InChIKeyYMCZRSIBBFZEGH-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.12
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
CID 103396544
1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene
CID 103514676
1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol
CID 105057112
1-bromo-4-(1-bromo-2-methylsulfonylpropyl)-2,5-dimethoxybenzene
CID 105057451
1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
CID 71326987
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 105056755
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 105056702
(S)-(4-bromo-2,5-dimethoxyphenyl)-diethoxyphosphorylmethanamine
CID 171191976
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
1-bromo-4-(1-chlorohexyl)-2,5-dimethoxybenzene
CID 105057265

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene?
The IUPAC name of 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene (CID 105057365) is 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene is CCC(CC)C(Br)c1cc(OC)c(Br)cc1OC.
What is the InChIKey of 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene?
The InChIKey is YMCZRSIBBFZEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O2/c1-5-9(6-2)14(16)10-7-13(18-4)11(15)8-12(10)17-3/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene?
1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene has a molecular weight of 380.12 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene is sourced from PubChem (CID 105057365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).