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

C14H20Br2O2 — CID 63440644

IUPAC1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
SMILESCCCCCC(Br)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C14H20Br2O2/c1-4-5-6-7-11(15)10-8-13(17-2)14(18-3)9-12(10)16/h8-9,11H,4-7H2,1-3H3
InChIKeyIJLZSVQGNMYKND-UHFFFAOYSA-N
MW380.12 g/mol
LogP5.48
Rot. Bonds7

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

1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene (PubChem CID 63440644) has the molecular formula C14H20Br2O2 and a molecular weight of 380.12 g/mol. Its IUPAC name is 1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
PubChem CID63440644
Molecular FormulaC14H20Br2O2
Molecular Weight380.12 g/mol
Exact Mass377.98
IUPAC Name1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
SMILESCCCCCC(Br)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C14H20Br2O2/c1-4-5-6-7-11(15)10-8-13(17-2)14(18-3)9-12(10)16/h8-9,11H,4-7H2,1-3H3
InChIKeyIJLZSVQGNMYKND-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.12
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(1-bromohexyl)-4,5-diethoxybenzene
CID 63441595
1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447638
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348
1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 43491693
2-bromo-1-(1-bromononyl)-4-methoxybenzene
CID 65426591
1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
CID 65433776
1-bromo-4-(1-chlorohexyl)-2,5-dimethoxybenzene
CID 105057265
2-bromo-4-(1-bromodecyl)-1-methoxybenzene
CID 65426016
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538
1-(4-bromo-2,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 105056855
2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one
CID 63447855

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene (CID 63440644) is 1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene is CCCCCC(Br)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene?
The InChIKey is IJLZSVQGNMYKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O2/c1-4-5-6-7-11(15)10-8-13(17-2)14(18-3)9-12(10)16/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene?
1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene has a molecular weight of 380.12 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene is sourced from PubChem (CID 63440644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).