4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one

C26H22O4 — CID 2926955

IUPAC4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3c(C)c(OCC=Cc4ccccc4)ccc23)cc1
InChIInChI=1S/C26H22O4/c1-18-24(29-16-6-9-19-7-4-3-5-8-19)15-14-22-23(17-25(27)30-26(18)22)20-10-12-21(28-2)13-11-20/h3-15,17H,16H2,1-2H3
InChIKeyMFHYPVRBQHGFGH-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.87
Rot. Bonds6

About 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one

4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one (PubChem CID 2926955) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one
PubChem CID2926955
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3c(C)c(OCC=Cc4ccccc4)ccc23)cc1
InChIInChI=1S/C26H22O4/c1-18-24(29-16-6-9-19-7-4-3-5-8-19)15-14-22-23(17-25(27)30-26(18)22)20-10-12-21(28-2)13-11-20/h3-15,17H,16H2,1-2H3
InChIKeyMFHYPVRBQHGFGH-UHFFFAOYSA-N
XLogP5.87
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one
CID 2299144
ethyl (2R)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxypropanoate
CID 1332926
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
CID 4967565
6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one
CID 54300411
methyl 2-[4,8-dimethyl-2-oxo-7-(3-phenylprop-2-enoxy)chromen-3-yl]acetate
CID 2948493
(2S)-1-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]pyrrolidine-2-carboxamide
CID 39377744
4-(4-methoxyphenyl)-8-methyl-7-[(1S)-2-oxocyclohexyl]oxychromen-2-one
CID 2034735
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 4914745
(8-methyl-2-oxo-4-phenylchromen-7-yl) 3-(4-fluorophenyl)prop-2-enoate
CID 4071237
8-methyl-7-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]-4-phenylchromen-2-one
CID 46933175
5-methyl-2-[2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetyl]-1H-pyrazol-3-one
CID 46933632
(8-methyl-2-oxo-4-phenylchromen-7-yl) benzenesulfonate
CID 2291880

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one (CID 2926955) is 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one is COc1ccc(-c2cc(=O)oc3c(C)c(OCC=Cc4ccccc4)ccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one?
The InChIKey is MFHYPVRBQHGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c1-18-24(29-16-6-9-19-7-4-3-5-8-19)15-14-22-23(17-25(27)30-26(18)22)20-10-12-21(28-2)13-11-20/h3-15,17H,16H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one?
4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one has a molecular weight of 398.46 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one is sourced from PubChem (CID 2926955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).