methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate

C12H11BrO2 — CID 92525134

IUPACmethyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C\c1ccc(Br)cc1
InChIInChI=1S/C12H11BrO2/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h2-9H,1H3/b4-2-,5-3+
InChIKeyCFSZPQMPALJBGQ-VOERYJCWSA-N
MW267.12 g/mol
LogP3.19
Rot. Bonds3

About methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate

methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate (PubChem CID 92525134) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
PubChem CID92525134
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Namemethyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C\c1ccc(Br)cc1
InChIInChI=1S/C12H11BrO2/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h2-9H,1H3/b4-2-,5-3+
InChIKeyCFSZPQMPALJBGQ-VOERYJCWSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate
CID 115024471
(E)-3-(4-bromophenyl)prop-2-enoic acid;methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 164965179
5-(4-bromophenyl)penta-2,4-dienoic acid
CID 582037
cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate
CID 88841794
methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate
CID 115023302
methyl (2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 152502233
methyl (2Z,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 166068269
(3E,5E)-6-(4-bromophenyl)-1,1,1-trifluorohexa-3,5-dien-2-one
CID 10780875
methyl (2E,4Z)-5-(4-octoxyphenyl)penta-2,4-dienoate
CID 5372840
(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide
CID 58248651
furan-2,5-dione;methyl 5-phenylpenta-2,4-dienoate
CID 157407947

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate (CID 92525134) is methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate is COC(=O)/C=C/C=C\c1ccc(Br)cc1.
What is the InChIKey of methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate?
The InChIKey is CFSZPQMPALJBGQ-VOERYJCWSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h2-9H,1H3/b4-2-,5-3+.
What are the key properties of methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate?
methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate has a molecular weight of 267.12 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate is sourced from PubChem (CID 92525134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).