2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene

C11H12Br2O2 — CID 46910681

IUPAC2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene
SMILESC=CCc1c(Br)c(OC)cc(OC)c1Br
InChIInChI=1S/C11H12Br2O2/c1-4-5-7-10(12)8(14-2)6-9(15-3)11(7)13/h4,6H,1,5H2,2-3H3
InChIKeyIUISCNDKGYFRCO-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.96
Rot. Bonds4

About 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene

2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene (PubChem CID 46910681) has the molecular formula C11H12Br2O2 and a molecular weight of 336.02 g/mol. Its IUPAC name is 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene.

Molecular Properties

Compound Name2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene
PubChem CID46910681
Molecular FormulaC11H12Br2O2
Molecular Weight336.02 g/mol
Exact Mass333.92
IUPAC Name2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene
SMILESC=CCc1c(Br)c(OC)cc(OC)c1Br
InChIInChI=1S/C11H12Br2O2/c1-4-5-7-10(12)8(14-2)6-9(15-3)11(7)13/h4,6H,1,5H2,2-3H3
InChIKeyIUISCNDKGYFRCO-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
CID 51033165
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane
CID 11449702
1-(chloromethyl)-4,5-dimethoxy-2-methyl-3-prop-2-enylbenzene
CID 102500877
1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
CID 22295057
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
4,5-dimethoxy-2-prop-2-enylaniline
CID 606353
3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol
CID 56955003
3-methoxy-1-prop-2-enylnaphthalen-2-ol
CID 130034062

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene?
The IUPAC name of 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene (CID 46910681) is 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene.
What is the SMILES notation for 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene?
The canonical SMILES for 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene is C=CCc1c(Br)c(OC)cc(OC)c1Br.
What is the InChIKey of 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene?
The InChIKey is IUISCNDKGYFRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O2/c1-4-5-7-10(12)8(14-2)6-9(15-3)11(7)13/h4,6H,1,5H2,2-3H3.
What are the key properties of 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene?
2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene has a molecular weight of 336.02 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene is sourced from PubChem (CID 46910681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).