(2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate

C15H11FO4 — CID 2079290

IUPAC(2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESCc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc(=O)o1
InChIInChI=1S/C15H11FO4/c1-10-8-13(9-15(18)19-10)20-14(17)7-4-11-2-5-12(16)6-3-11/h2-9H,1H3/b7-4+
InChIKeyWNRGPEBVSFZHPH-QPJJXVBHSA-N
MW274.25 g/mol
LogP2.71
Rot. Bonds3

About (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate

(2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 2079290) has the molecular formula C15H11FO4 and a molecular weight of 274.25 g/mol. Its IUPAC name is (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID2079290
Molecular FormulaC15H11FO4
Molecular Weight274.25 g/mol
Exact Mass274.06
IUPAC Name(2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESCc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc(=O)o1
InChIInChI=1S/C15H11FO4/c1-10-8-13(9-15(18)19-10)20-14(17)7-4-11-2-5-12(16)6-3-11/h2-9H,1H3/b7-4+
InChIKeyWNRGPEBVSFZHPH-QPJJXVBHSA-N
XLogP2.71
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate (CID 2079290) is (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate is Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc(=O)o1.
What is the InChIKey of (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is WNRGPEBVSFZHPH-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H11FO4/c1-10-8-13(9-15(18)19-10)20-14(17)7-4-11-2-5-12(16)6-3-11/h2-9H,1H3/b7-4+.
What are the key properties of (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate?
(2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 274.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-oxopyran-4-yl) (E)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2079290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).