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

C10H12Br2O2 — CID 61096538

IUPAC1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(C)Br)cc1OC
InChIInChI=1S/C10H12Br2O2/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-6H,1-3H3
InChIKeyPDSWRHOWPBHUMW-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.92
Rot. Bonds3

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

1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene (PubChem CID 61096538) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
PubChem CID61096538
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(C)Br)cc1OC
InChIInChI=1S/C10H12Br2O2/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-6H,1-3H3
InChIKeyPDSWRHOWPBHUMW-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
1-bromo-2-(1-bromo-3,4,4-trimethylpentyl)-4,5-dimethoxybenzene
CID 63832973
(1S,2R)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-ol
CID 171266626
1-bromo-2-(1-bromo-3,5,5-trimethylhexyl)-4,5-dimethoxybenzene
CID 63440778
1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
CID 63440644
1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 55134769
2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
CID 63440860
1-bromo-2-[bromo-(4-iodophenyl)methyl]-4,5-dimethoxybenzene
CID 63440645
2-bromo-4-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964668
2,5-dibromo-3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964666
(1S)-1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171239119
1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
CID 71326987

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene (CID 61096538) is 1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene is COc1cc(Br)c(C(C)Br)cc1OC.
What is the InChIKey of 1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene?
The InChIKey is PDSWRHOWPBHUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-6H,1-3H3.
What are the key properties of 1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene?
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene has a molecular weight of 324.01 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene is sourced from PubChem (CID 61096538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).