1-(2,2-dibromoethenyl)-4-methoxybenzene

C9H8Br2O — CID 10859278

IUPAC1-(2,2-dibromoethenyl)-4-methoxybenzene
SMILESCOc1ccc(C=C(Br)Br)cc1
InChIInChI=1S/C9H8Br2O/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3
InChIKeyWPCVWFREMZVRMJ-UHFFFAOYSA-N
MW291.97 g/mol
LogP3.78
Rot. Bonds2

About 1-(2,2-dibromoethenyl)-4-methoxybenzene

1-(2,2-dibromoethenyl)-4-methoxybenzene (PubChem CID 10859278) has the molecular formula C9H8Br2O and a molecular weight of 291.97 g/mol. Its IUPAC name is 1-(2,2-dibromoethenyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,2-dibromoethenyl)-4-methoxybenzene
PubChem CID10859278
Molecular FormulaC9H8Br2O
Molecular Weight291.97 g/mol
Exact Mass289.89
IUPAC Name1-(2,2-dibromoethenyl)-4-methoxybenzene
SMILESCOc1ccc(C=C(Br)Br)cc1
InChIInChI=1S/C9H8Br2O/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3
InChIKeyWPCVWFREMZVRMJ-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(Z)-2-bromo-2-isocyanoethenyl]-4-methoxybenzene
CID 134987237
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
2-[(4-methoxyphenyl)methylidene]butan-1-amine
CID 79321876
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine
CID 162990023
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromoethenyl)-4-methoxybenzene?
The IUPAC name of 1-(2,2-dibromoethenyl)-4-methoxybenzene (CID 10859278) is 1-(2,2-dibromoethenyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,2-dibromoethenyl)-4-methoxybenzene?
The canonical SMILES for 1-(2,2-dibromoethenyl)-4-methoxybenzene is COc1ccc(C=C(Br)Br)cc1.
What is the InChIKey of 1-(2,2-dibromoethenyl)-4-methoxybenzene?
The InChIKey is WPCVWFREMZVRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3.
What are the key properties of 1-(2,2-dibromoethenyl)-4-methoxybenzene?
1-(2,2-dibromoethenyl)-4-methoxybenzene has a molecular weight of 291.97 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromoethenyl)-4-methoxybenzene is sourced from PubChem (CID 10859278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).