methyl (2E)-2-phenylpenta-2,4-dienoate

C12H12O2 — CID 102389363

IUPACmethyl (2E)-2-phenylpenta-2,4-dienoate
SMILESC=C/C=C(/C(=O)OC)c1ccccc1
InChIInChI=1S/C12H12O2/c1-3-7-11(12(13)14-2)10-8-5-4-6-9-10/h3-9H,1H2,2H3/b11-7+
InChIKeyCUISUHHWCVWKIB-YRNVUSSQSA-N
MW188.23 g/mol
LogP2.43
Rot. Bonds3

About methyl (2E)-2-phenylpenta-2,4-dienoate

methyl (2E)-2-phenylpenta-2,4-dienoate (PubChem CID 102389363) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl (2E)-2-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E)-2-phenylpenta-2,4-dienoate
PubChem CID102389363
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Namemethyl (2E)-2-phenylpenta-2,4-dienoate
SMILESC=C/C=C(/C(=O)OC)c1ccccc1
InChIInChI=1S/C12H12O2/c1-3-7-11(12(13)14-2)10-8-5-4-6-9-10/h3-9H,1H2,2H3/b11-7+
InChIKeyCUISUHHWCVWKIB-YRNVUSSQSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.43
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 2-phenylpenta-2,4-dienoate
CID 73023142
methyl (2E)-2-(3-methoxyphenyl)penta-2,4-dienoate
CID 102389358
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
methyl (2E,4E)-5-(4-acetylphenyl)-2-phenylpenta-2,4-dienoate
CID 166438675
(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
CID 145315287
methyl (E)-2,5-diphenylpent-2-enoate
CID 24795397
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
CID 2764285
methyl (E)-3-(2-cyanophenyl)-2-phenylprop-2-enoate
CID 102379772
methyl (Z)-2-phenyloct-2-enoate
CID 13480315
methyl (E)-2-phenyloct-2-enoate
CID 13480316
(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid
CID 5386472

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-phenylpenta-2,4-dienoate?
The IUPAC name of methyl (2E)-2-phenylpenta-2,4-dienoate (CID 102389363) is methyl (2E)-2-phenylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2E)-2-phenylpenta-2,4-dienoate?
The canonical SMILES for methyl (2E)-2-phenylpenta-2,4-dienoate is C=C/C=C(/C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2E)-2-phenylpenta-2,4-dienoate?
The InChIKey is CUISUHHWCVWKIB-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-7-11(12(13)14-2)10-8-5-4-6-9-10/h3-9H,1H2,2H3/b11-7+.
What are the key properties of methyl (2E)-2-phenylpenta-2,4-dienoate?
methyl (2E)-2-phenylpenta-2,4-dienoate has a molecular weight of 188.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-phenylpenta-2,4-dienoate is sourced from PubChem (CID 102389363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).