methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate

C14H14O4 — CID 71333234

IUPACmethyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate
SMILESCOC(=O)C(=CC=CC(=O)c1ccccc1)OC
InChIInChI=1S/C14H14O4/c1-17-13(14(16)18-2)10-6-9-12(15)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyQUNLTSNVNDGBAE-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.13
Rot. Bonds5

About methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate

methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate (PubChem CID 71333234) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate
PubChem CID71333234
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namemethyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate
SMILESCOC(=O)C(=CC=CC(=O)c1ccccc1)OC
InChIInChI=1S/C14H14O4/c1-17-13(14(16)18-2)10-6-9-12(15)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyQUNLTSNVNDGBAE-UHFFFAOYSA-N
XLogP2.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-phenylhexa-2,4-dien-1-one
CID 57351073
methyl 2-amino-4-oxo-4-phenylbut-2-enoate
CID 85280020
methyl (E)-2-methyl-4-oxo-4-phenylbut-2-enoate
CID 641404
methyl (2Z)-5,5-diphenylpenta-2,4-dienoate
CID 92534378
methyl (Z)-4-oxo-4-phenyl-2-sulfanylbut-2-enoate
CID 143031018
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
dimethyl 2-[(E)-3-oxo-3-phenylprop-1-enyl]propanedioate
CID 102177491
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
methyl (2E,4E)-5-(3-hydroxyphenyl)-2-methoxypenta-2,4-dienoate
CID 139785088
methyl 2-methoxy-4-oxo-6-phenylhexa-2,5-dienoate
CID 90880390
[(Z)-3-methoxy-3-oxo-1-phenylprop-1-en-2-yl] benzoate
CID 134873004

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate?
The IUPAC name of methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate (CID 71333234) is methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate.
What is the SMILES notation for methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate?
The canonical SMILES for methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate is COC(=O)C(=CC=CC(=O)c1ccccc1)OC.
What is the InChIKey of methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate?
The InChIKey is QUNLTSNVNDGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-17-13(14(16)18-2)10-6-9-12(15)11-7-4-3-5-8-11/h3-10H,1-2H3.
What are the key properties of methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate?
methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate has a molecular weight of 246.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate is sourced from PubChem (CID 71333234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).