(2,3-dibromo-1-phenylbut-1-enyl)benzene

C16H14Br2 — CID 13149982

IUPAC(2,3-dibromo-1-phenylbut-1-enyl)benzene
SMILESCC(Br)C(Br)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Br2/c1-12(17)16(18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyGKKDDKUJZNYFQO-UHFFFAOYSA-N
MW366.10 g/mol
LogP5.62
Rot. Bonds3

About (2,3-dibromo-1-phenylbut-1-enyl)benzene

(2,3-dibromo-1-phenylbut-1-enyl)benzene (PubChem CID 13149982) has the molecular formula C16H14Br2 and a molecular weight of 366.10 g/mol. Its IUPAC name is (2,3-dibromo-1-phenylbut-1-enyl)benzene.

Molecular Properties

Compound Name(2,3-dibromo-1-phenylbut-1-enyl)benzene
PubChem CID13149982
Molecular FormulaC16H14Br2
Molecular Weight366.10 g/mol
Exact Mass363.95
IUPAC Name(2,3-dibromo-1-phenylbut-1-enyl)benzene
SMILESCC(Br)C(Br)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Br2/c1-12(17)16(18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyGKKDDKUJZNYFQO-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,3-dibromo-1-phenylbut-1-enyl)benzene 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

3-bromo-1-phenylbutane-1,2-dione
CID 23455643
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
(2,3-dimethyl-1-phenylbut-1-enyl)benzene
CID 15438795
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
CID 67882804
CID 67882804
2,2-diphenylethene-1,1-diselenol
CID 175146391
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene
CID 3032769
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
CID 132556766
2-bromo-N-(1-phenylethenyl)propanamide
CID 57323487
(Z)-3,4-diphenylhex-3-ene-2,5-diol
CID 11346209

Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-1-phenylbut-1-enyl)benzene?
The IUPAC name of (2,3-dibromo-1-phenylbut-1-enyl)benzene (CID 13149982) is (2,3-dibromo-1-phenylbut-1-enyl)benzene.
What is the SMILES notation for (2,3-dibromo-1-phenylbut-1-enyl)benzene?
The canonical SMILES for (2,3-dibromo-1-phenylbut-1-enyl)benzene is CC(Br)C(Br)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,3-dibromo-1-phenylbut-1-enyl)benzene?
The InChIKey is GKKDDKUJZNYFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2/c1-12(17)16(18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of (2,3-dibromo-1-phenylbut-1-enyl)benzene?
(2,3-dibromo-1-phenylbut-1-enyl)benzene has a molecular weight of 366.10 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-1-phenylbut-1-enyl)benzene is sourced from PubChem (CID 13149982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).