2,4-dibromo-1-prop-1-enylbenzene

C9H8Br2 — CID 139726331

IUPAC2,4-dibromo-1-prop-1-enylbenzene
SMILESCC=Cc1ccc(Br)cc1Br
InChIInChI=1S/C9H8Br2/c1-2-3-7-4-5-8(10)6-9(7)11/h2-6H,1H3
InChIKeyLBNKZHWDBJLAGA-UHFFFAOYSA-N
MW275.97 g/mol
LogP4.24
Rot. Bonds1

About 2,4-dibromo-1-prop-1-enylbenzene

2,4-dibromo-1-prop-1-enylbenzene (PubChem CID 139726331) has the molecular formula C9H8Br2 and a molecular weight of 275.97 g/mol. Its IUPAC name is 2,4-dibromo-1-prop-1-enylbenzene.

Molecular Properties

Compound Name2,4-dibromo-1-prop-1-enylbenzene
PubChem CID139726331
Molecular FormulaC9H8Br2
Molecular Weight275.97 g/mol
Exact Mass273.90
IUPAC Name2,4-dibromo-1-prop-1-enylbenzene
SMILESCC=Cc1ccc(Br)cc1Br
InChIInChI=1S/C9H8Br2/c1-2-3-7-4-5-8(10)6-9(7)11/h2-6H,1H3
InChIKeyLBNKZHWDBJLAGA-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.97
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dibromo-1-prop-1-enylbenzene 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

1,5-dibromo-2,4-bis(prop-1-enyl)benzene
CID 138976550
4-bromo-1-ethenyl-2-[(Z)-prop-1-enyl]benzene;ethane
CID 142150978
2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene
CID 139610671
N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine
CID 135128411
4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine
CID 170194791
4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene
CID 67463179
(2S)-2-amino-3-[4-bromo-2-[(E)-prop-1-enyl]phenyl]propanenitrile
CID 170711317
2,4-dibromophenol;methanol
CID 174690931
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
CID 145089984
3-[4-bromo-2-(2,4-dibromophenoxy)phenyl]prop-2-enoic acid
CID 77055105

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-prop-1-enylbenzene?
The IUPAC name of 2,4-dibromo-1-prop-1-enylbenzene (CID 139726331) is 2,4-dibromo-1-prop-1-enylbenzene.
What is the SMILES notation for 2,4-dibromo-1-prop-1-enylbenzene?
The canonical SMILES for 2,4-dibromo-1-prop-1-enylbenzene is CC=Cc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-prop-1-enylbenzene?
The InChIKey is LBNKZHWDBJLAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2/c1-2-3-7-4-5-8(10)6-9(7)11/h2-6H,1H3.
What are the key properties of 2,4-dibromo-1-prop-1-enylbenzene?
2,4-dibromo-1-prop-1-enylbenzene has a molecular weight of 275.97 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-prop-1-enylbenzene is sourced from PubChem (CID 139726331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).