6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one

C15H14O3 — CID 54300411

IUPAC6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one
SMILESCc1cc(OCC=Cc2ccccc2)cc(=O)o1
InChIInChI=1S/C15H14O3/c1-12-10-14(11-15(16)18-12)17-9-5-8-13-6-3-2-4-7-13/h2-8,10-11H,9H2,1H3
InChIKeySDTXEHNHSZSIMB-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.04
Rot. Bonds4

About 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one

6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one (PubChem CID 54300411) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one.

Molecular Properties

Compound Name6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one
PubChem CID54300411
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one
SMILESCc1cc(OCC=Cc2ccccc2)cc(=O)o1
InChIInChI=1S/C15H14O3/c1-12-10-14(11-15(16)18-12)17-9-5-8-13-6-3-2-4-7-13/h2-8,10-11H,9H2,1H3
InChIKeySDTXEHNHSZSIMB-UHFFFAOYSA-N
XLogP3.04
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one
CID 2926955
8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one
CID 2299144
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062832
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
CID 54275545
(2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate
CID 132510099
5-hydroxy-2-phenyl-7-(3-phenylprop-2-enoxy)chromen-4-one
CID 6802595
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
CID 132821616
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene
CID 54606183
3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062762

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one?
The IUPAC name of 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one (CID 54300411) is 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one.
What is the SMILES notation for 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one?
The canonical SMILES for 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one is Cc1cc(OCC=Cc2ccccc2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one?
The InChIKey is SDTXEHNHSZSIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-12-10-14(11-15(16)18-12)17-9-5-8-13-6-3-2-4-7-13/h2-8,10-11H,9H2,1H3.
What are the key properties of 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one?
6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one has a molecular weight of 242.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one is sourced from PubChem (CID 54300411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).