1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene

C11H13BrO2 — CID 51033165

IUPAC1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
SMILESC=CCc1c(OC)ccc(Br)c1OC
InChIInChI=1S/C11H13BrO2/c1-4-5-8-10(13-2)7-6-9(12)11(8)14-3/h4,6-7H,1,5H2,2-3H3
InChIKeyCOBQAYMXUQCJSX-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.19
Rot. Bonds4

About 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene

1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene (PubChem CID 51033165) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
PubChem CID51033165
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
SMILESC=CCc1c(OC)ccc(Br)c1OC
InChIInChI=1S/C11H13BrO2/c1-4-5-8-10(13-2)7-6-9(12)11(8)14-3/h4,6-7H,1,5H2,2-3H3
InChIKeyCOBQAYMXUQCJSX-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.19
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-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene
CID 46910681
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
CID 11740051
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
1-(chloromethyl)-4,5-dimethoxy-2-methyl-3-prop-2-enylbenzene
CID 102500877
3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide
CID 10089583

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene?
The IUPAC name of 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene (CID 51033165) is 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene.
What is the SMILES notation for 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene?
The canonical SMILES for 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene is C=CCc1c(OC)ccc(Br)c1OC.
What is the InChIKey of 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene?
The InChIKey is COBQAYMXUQCJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-4-5-8-10(13-2)7-6-9(12)11(8)14-3/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene?
1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene has a molecular weight of 257.13 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene is sourced from PubChem (CID 51033165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).