1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene

C10H10BrCl — CID 18958990

IUPAC1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene
SMILESClc1ccc(CC/C=C/Br)cc1
InChIInChI=1S/C10H10BrCl/c11-8-2-1-3-9-4-6-10(12)7-5-9/h2,4-8H,1,3H2/b8-2+
InChIKeyCCUUCYBCIWZDFM-KRXBUXKQSA-N
MW245.55 g/mol
LogP4.18
Rot. Bonds3

About 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene

1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene (PubChem CID 18958990) has the molecular formula C10H10BrCl and a molecular weight of 245.55 g/mol. Its IUPAC name is 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene
PubChem CID18958990
Molecular FormulaC10H10BrCl
Molecular Weight245.55 g/mol
Exact Mass243.97
IUPAC Name1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene
SMILESClc1ccc(CC/C=C/Br)cc1
InChIInChI=1S/C10H10BrCl/c11-8-2-1-3-9-4-6-10(12)7-5-9/h2,4-8H,1,3H2/b8-2+
InChIKeyCCUUCYBCIWZDFM-KRXBUXKQSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.55
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 23455748
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CID 10782757
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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene?
The IUPAC name of 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene (CID 18958990) is 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene?
The canonical SMILES for 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene is Clc1ccc(CC/C=C/Br)cc1.
What is the InChIKey of 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene?
The InChIKey is CCUUCYBCIWZDFM-KRXBUXKQSA-N. The full InChI is InChI=1S/C10H10BrCl/c11-8-2-1-3-9-4-6-10(12)7-5-9/h2,4-8H,1,3H2/b8-2+.
What are the key properties of 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene?
1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene has a molecular weight of 245.55 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene is sourced from PubChem (CID 18958990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).