1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one

C11H7BrCl2O — CID 71346907

IUPAC1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one
SMILESO=C(C=CC=C(Cl)Cl)c1cccc(Br)c1
InChIInChI=1S/C11H7BrCl2O/c12-9-4-1-3-8(7-9)10(15)5-2-6-11(13)14/h1-7H
InChIKeyDLJYAEISYSWWCJ-UHFFFAOYSA-N
MW305.99 g/mol
LogP4.51
Rot. Bonds3

About 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one

1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one (PubChem CID 71346907) has the molecular formula C11H7BrCl2O and a molecular weight of 305.99 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one
PubChem CID71346907
Molecular FormulaC11H7BrCl2O
Molecular Weight305.99 g/mol
Exact Mass303.91
IUPAC Name1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one
SMILESO=C(C=CC=C(Cl)Cl)c1cccc(Br)c1
InChIInChI=1S/C11H7BrCl2O/c12-9-4-1-3-8(7-9)10(15)5-2-6-11(13)14/h1-7H
InChIKeyDLJYAEISYSWWCJ-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.99
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one
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(E)-1-(3-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
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(E)-1-(3-bromophenyl)-3-(2-chloro-5-nitrophenyl)prop-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one?
The IUPAC name of 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one (CID 71346907) is 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one?
The canonical SMILES for 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one is O=C(C=CC=C(Cl)Cl)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one?
The InChIKey is DLJYAEISYSWWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2O/c12-9-4-1-3-8(7-9)10(15)5-2-6-11(13)14/h1-7H.
What are the key properties of 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one?
1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one has a molecular weight of 305.99 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one is sourced from PubChem (CID 71346907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).