[(E)-2-bromobut-1-enyl]benzene

C10H11Br — CID 15418577

IUPAC[(E)-2-bromobut-1-enyl]benzene
SMILESCC/C(Br)=C\c1ccccc1
InChIInChI=1S/C10H11Br/c1-2-10(11)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyPBFLCYUCDTZHLD-CSKARUKUSA-N
MW211.10 g/mol
LogP3.83
Rot. Bonds2

About [(E)-2-bromobut-1-enyl]benzene

[(E)-2-bromobut-1-enyl]benzene (PubChem CID 15418577) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is [(E)-2-bromobut-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-2-bromobut-1-enyl]benzene
PubChem CID15418577
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name[(E)-2-bromobut-1-enyl]benzene
SMILESCC/C(Br)=C\c1ccccc1
InChIInChI=1S/C10H11Br/c1-2-10(11)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyPBFLCYUCDTZHLD-CSKARUKUSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [(E)-2-bromobut-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

2,2-dibromo(113C)ethenylbenzene
CID 131856077
(Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride
CID 170888527
(3E)-3-benzylidenepentan-2-ol
CID 135080947
2-(chloromethyl)but-1-enylbenzene
CID 54330617
[(E)-2-methylsulfanylbut-1-enyl]benzene
CID 134994915
(1Z,4R,5S)-2-bromo-5-methyl-1-phenylhepta-1,6-dien-4-ol
CID 135041087
(2-bromo-2-methylsulfanylethenyl)benzene
CID 71358341
[(E)-2-bromo-2-methylsulfanylethenyl]benzene
CID 11770236
[(E)-2-bromo-2-methylselanylethenyl]benzene
CID 10989488
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
4-benzylidene-2-methylhex-2-enoic acid
CID 126650442
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501

Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromobut-1-enyl]benzene?
The IUPAC name of [(E)-2-bromobut-1-enyl]benzene (CID 15418577) is [(E)-2-bromobut-1-enyl]benzene.
What is the SMILES notation for [(E)-2-bromobut-1-enyl]benzene?
The canonical SMILES for [(E)-2-bromobut-1-enyl]benzene is CC/C(Br)=C\c1ccccc1.
What is the InChIKey of [(E)-2-bromobut-1-enyl]benzene?
The InChIKey is PBFLCYUCDTZHLD-CSKARUKUSA-N. The full InChI is InChI=1S/C10H11Br/c1-2-10(11)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+.
What are the key properties of [(E)-2-bromobut-1-enyl]benzene?
[(E)-2-bromobut-1-enyl]benzene has a molecular weight of 211.10 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromobut-1-enyl]benzene is sourced from PubChem (CID 15418577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).