1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene

C11H12Br2O2 — CID 119082565

IUPAC1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene
SMILESCOc1cccc(CC=C(Br)Br)c1OC
InChIInChI=1S/C11H12Br2O2/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-5,7H,6H2,1-2H3
InChIKeyIISYBZLETAJEOA-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.88
Rot. Bonds4

About 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene

1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene (PubChem CID 119082565) has the molecular formula C11H12Br2O2 and a molecular weight of 336.02 g/mol. Its IUPAC name is 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene
PubChem CID119082565
Molecular FormulaC11H12Br2O2
Molecular Weight336.02 g/mol
Exact Mass333.92
IUPAC Name1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene
SMILESCOc1cccc(CC=C(Br)Br)c1OC
InChIInChI=1S/C11H12Br2O2/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-5,7H,6H2,1-2H3
InChIKeyIISYBZLETAJEOA-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dibromoprop-2-enyl)-2,3-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

N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
1,2-dimethoxy-3-prop-2-ynylbenzene
CID 119082494
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 55594760
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18112110
1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
CID 3052715

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene?
The IUPAC name of 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene (CID 119082565) is 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene.
What is the SMILES notation for 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene?
The canonical SMILES for 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene is COc1cccc(CC=C(Br)Br)c1OC.
What is the InChIKey of 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene?
The InChIKey is IISYBZLETAJEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O2/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene?
1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene has a molecular weight of 336.02 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dibromoprop-2-enyl)-2,3-dimethoxybenzene is sourced from PubChem (CID 119082565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).