phenyl (2E,4E)-hexa-2,4-dienoate

C12H12O2 — CID 12943286

IUPACphenyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)Oc1ccccc1
InChIInChI=1S/C12H12O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h2-10H,1H3/b3-2+,10-5+
InChIKeyMQIHULHVANZSER-XPQLPGEHSA-N
MW188.23 g/mol
LogP2.72
Rot. Bonds3

About phenyl (2E,4E)-hexa-2,4-dienoate

phenyl (2E,4E)-hexa-2,4-dienoate (PubChem CID 12943286) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is phenyl (2E,4E)-hexa-2,4-dienoate.

Molecular Properties

Compound Namephenyl (2E,4E)-hexa-2,4-dienoate
PubChem CID12943286
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Namephenyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)Oc1ccccc1
InChIInChI=1S/C12H12O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h2-10H,1H3/b3-2+,10-5+
InChIKeyMQIHULHVANZSER-XPQLPGEHSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl (2E,4E)-hexa-2,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl (2E,4E)-hexa-2,4-dienoate?
The IUPAC name of phenyl (2E,4E)-hexa-2,4-dienoate (CID 12943286) is phenyl (2E,4E)-hexa-2,4-dienoate.
What is the SMILES notation for phenyl (2E,4E)-hexa-2,4-dienoate?
The canonical SMILES for phenyl (2E,4E)-hexa-2,4-dienoate is C/C=C/C=C/C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2E,4E)-hexa-2,4-dienoate?
The InChIKey is MQIHULHVANZSER-XPQLPGEHSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h2-10H,1H3/b3-2+,10-5+.
What are the key properties of phenyl (2E,4E)-hexa-2,4-dienoate?
phenyl (2E,4E)-hexa-2,4-dienoate has a molecular weight of 188.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2E,4E)-hexa-2,4-dienoate is sourced from PubChem (CID 12943286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).