1-bromo-3-[(E)-but-1-enyl]benzene

C10H11Br — CID 22159609

IUPAC1-bromo-3-[(E)-but-1-enyl]benzene
SMILESCC/C=C/c1cccc(Br)c1
InChIInChI=1S/C10H11Br/c1-2-3-5-9-6-4-7-10(11)8-9/h3-8H,2H2,1H3/b5-3+
InChIKeySVONSDANHPLSGH-HWKANZROSA-N
MW211.10 g/mol
LogP3.87
Rot. Bonds2

About 1-bromo-3-[(E)-but-1-enyl]benzene

1-bromo-3-[(E)-but-1-enyl]benzene (PubChem CID 22159609) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-bromo-3-[(E)-but-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(E)-but-1-enyl]benzene
PubChem CID22159609
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name1-bromo-3-[(E)-but-1-enyl]benzene
SMILESCC/C=C/c1cccc(Br)c1
InChIInChI=1S/C10H11Br/c1-2-3-5-9-6-4-7-10(11)8-9/h3-8H,2H2,1H3/b5-3+
InChIKeySVONSDANHPLSGH-HWKANZROSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
4-(3-bromophenyl)but-3-ene-1-thiol
CID 170479347
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
benzene;but-1-enylbenzene
CID 157481332
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
1-bromo-3-[(Z)-2-methoxyethenyl]benzene
CID 172866620
1-bromo-3-[(E)-2-methoxyethenyl]benzene
CID 67543608
6-[(E)-but-1-enyl]-2-methylcyclohepta-2,4,6-trien-1-one
CID 158063432
3-but-1-enylbenzonitrile
CID 66844628
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436
ethyl (Z)-3-(3-bromophenyl)prop-2-enoate
CID 124561754

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(E)-but-1-enyl]benzene?
The IUPAC name of 1-bromo-3-[(E)-but-1-enyl]benzene (CID 22159609) is 1-bromo-3-[(E)-but-1-enyl]benzene.
What is the SMILES notation for 1-bromo-3-[(E)-but-1-enyl]benzene?
The canonical SMILES for 1-bromo-3-[(E)-but-1-enyl]benzene is CC/C=C/c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[(E)-but-1-enyl]benzene?
The InChIKey is SVONSDANHPLSGH-HWKANZROSA-N. The full InChI is InChI=1S/C10H11Br/c1-2-3-5-9-6-4-7-10(11)8-9/h3-8H,2H2,1H3/b5-3+.
What are the key properties of 1-bromo-3-[(E)-but-1-enyl]benzene?
1-bromo-3-[(E)-but-1-enyl]benzene has a molecular weight of 211.10 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(E)-but-1-enyl]benzene is sourced from PubChem (CID 22159609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).