1-bromo-4-but-2-en-2-ylbenzene

C10H11Br — CID 72775371

IUPAC1-bromo-4-but-2-en-2-ylbenzene
SMILESCC=C(C)c1ccc(Br)cc1
InChIInChI=1S/C10H11Br/c1-3-8(2)9-4-6-10(11)7-5-9/h3-7H,1-2H3
InChIKeyCXFYPVJZKHWCJX-UHFFFAOYSA-N
MW211.10 g/mol
LogP3.87
Rot. Bonds1

About 1-bromo-4-but-2-en-2-ylbenzene

1-bromo-4-but-2-en-2-ylbenzene (PubChem CID 72775371) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-bromo-4-but-2-en-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-4-but-2-en-2-ylbenzene
PubChem CID72775371
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name1-bromo-4-but-2-en-2-ylbenzene
SMILESCC=C(C)c1ccc(Br)cc1
InChIInChI=1S/C10H11Br/c1-3-8(2)9-4-6-10(11)7-5-9/h3-7H,1-2H3
InChIKeyCXFYPVJZKHWCJX-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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1-[(Z)-but-2-en-2-yl]-4-methylbenzene
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1-but-2-en-2-yl-4-methylbenzene
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(E)-1,3-bis(4-bromophenyl)but-2-en-1-one
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CID 177055008
CID 177055008
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
1-bromo-4-(1-methoxyprop-1-enyl)benzene
CID 131859636
(Z)-1-(4-bromophenyl)prop-1-ene-1,2-dithiol
CID 88897319
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-but-2-en-2-ylbenzene?
The IUPAC name of 1-bromo-4-but-2-en-2-ylbenzene (CID 72775371) is 1-bromo-4-but-2-en-2-ylbenzene.
What is the SMILES notation for 1-bromo-4-but-2-en-2-ylbenzene?
The canonical SMILES for 1-bromo-4-but-2-en-2-ylbenzene is CC=C(C)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-but-2-en-2-ylbenzene?
The InChIKey is CXFYPVJZKHWCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br/c1-3-8(2)9-4-6-10(11)7-5-9/h3-7H,1-2H3.
What are the key properties of 1-bromo-4-but-2-en-2-ylbenzene?
1-bromo-4-but-2-en-2-ylbenzene has a molecular weight of 211.10 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-but-2-en-2-ylbenzene is sourced from PubChem (CID 72775371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).