(4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate

C15H14O6 — CID 141076159

IUPAC(4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate
SMILESC=C(C)C(=O)OCC(=C=O)C(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C15H14O6/c1-10(2)14(17)20-9-11(8-16)15(18)21-13-6-4-12(19-3)5-7-13/h4-7H,1,9H2,2-3H3
InChIKeyGCFQJNQNRKDZQT-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.48
Rot. Bonds6

About (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate

(4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate (PubChem CID 141076159) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate
PubChem CID141076159
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name(4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate
SMILESC=C(C)C(=O)OCC(=C=O)C(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C15H14O6/c1-10(2)14(17)20-9-11(8-16)15(18)21-13-6-4-12(19-3)5-7-13/h4-7H,1,9H2,2-3H3
InChIKeyGCFQJNQNRKDZQT-UHFFFAOYSA-N
XLogP1.48
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366
[2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate
CID 139950838
[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 126585525
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate
CID 144714555
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146704143
[2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 155443167
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858
bis(4-methoxyphenyl) propanedioate
CID 12000137

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate?
The IUPAC name of (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate (CID 141076159) is (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate.
What is the SMILES notation for (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate?
The canonical SMILES for (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate is C=C(C)C(=O)OCC(=C=O)C(=O)Oc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate?
The InChIKey is GCFQJNQNRKDZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-10(2)14(17)20-9-11(8-16)15(18)21-13-6-4-12(19-3)5-7-13/h4-7H,1,9H2,2-3H3.
What are the key properties of (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate?
(4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate has a molecular weight of 290.27 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate is sourced from PubChem (CID 141076159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).