5-(4-bromophenyl)penta-2,4-dienoic acid

C11H9BrO2 — CID 582037

IUPAC5-(4-bromophenyl)penta-2,4-dienoic acid
SMILESO=C(O)C=CC=Cc1ccc(Br)cc1
InChIInChI=1S/C11H9BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8H,(H,13,14)
InChIKeyVOYSRRAAFWNKEK-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.10
Rot. Bonds3

About 5-(4-bromophenyl)penta-2,4-dienoic acid

5-(4-bromophenyl)penta-2,4-dienoic acid (PubChem CID 582037) has the molecular formula C11H9BrO2 and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-(4-bromophenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)penta-2,4-dienoic acid
PubChem CID582037
Molecular FormulaC11H9BrO2
Molecular Weight253.10 g/mol
Exact Mass251.98
IUPAC Name5-(4-bromophenyl)penta-2,4-dienoic acid
SMILESO=C(O)C=CC=Cc1ccc(Br)cc1
InChIInChI=1S/C11H9BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8H,(H,13,14)
InChIKeyVOYSRRAAFWNKEK-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.10
H-Bond Donors ≤ 51
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

11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid
CID 91104661
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
(3E,5E)-6-(4-bromophenyl)-1,1,1-trifluorohexa-3,5-dien-2-one
CID 10780875
methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
CID 92525134
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide
CID 58248651
1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
CID 5127600
3-(4-chlorophenyl)prop-2-enoic acid;5-phenylpenta-2,4-dienoic acid
CID 173256953
(E)-3-(4-bromophenyl)prop-2-enoic acid;methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 164965179
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
(2E,4E)-5-(4-butan-2-ylphenyl)penta-2,4-dienoic acid
CID 116865789

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)penta-2,4-dienoic acid?
The IUPAC name of 5-(4-bromophenyl)penta-2,4-dienoic acid (CID 582037) is 5-(4-bromophenyl)penta-2,4-dienoic acid.
What is the SMILES notation for 5-(4-bromophenyl)penta-2,4-dienoic acid?
The canonical SMILES for 5-(4-bromophenyl)penta-2,4-dienoic acid is O=C(O)C=CC=Cc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)penta-2,4-dienoic acid?
The InChIKey is VOYSRRAAFWNKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8H,(H,13,14).
What are the key properties of 5-(4-bromophenyl)penta-2,4-dienoic acid?
5-(4-bromophenyl)penta-2,4-dienoic acid has a molecular weight of 253.10 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 582037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).