7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one

C24H20O4 — CID 44963511

IUPAC7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
SMILESCOc1cccc(COc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2)c1
InChIInChI=1S/C24H20O4/c1-16-21-12-11-20(27-15-17-7-6-10-19(13-17)26-2)14-22(21)28-24(25)23(16)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyWIEQSSPAHTZZLF-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.36
Rot. Bonds5

About 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one

7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one (PubChem CID 44963511) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one.

Molecular Properties

Compound Name7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
PubChem CID44963511
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
SMILESCOc1cccc(COc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2)c1
InChIInChI=1S/C24H20O4/c1-16-21-12-11-20(27-15-17-7-6-10-19(13-17)26-2)14-22(21)28-24(25)23(16)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyWIEQSSPAHTZZLF-UHFFFAOYSA-N
XLogP5.36
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.36
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

6-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 7198723
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
CID 4282806
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355
benzyl 2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 44963701
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268
4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one
CID 54728020
prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate
CID 7198306
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate
CID 44963548

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one?
The IUPAC name of 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one (CID 44963511) is 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one.
What is the SMILES notation for 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one?
The canonical SMILES for 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one is COc1cccc(COc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2)c1.
What is the InChIKey of 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one?
The InChIKey is WIEQSSPAHTZZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c1-16-21-12-11-20(27-15-17-7-6-10-19(13-17)26-2)14-22(21)28-24(25)23(16)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3.
What are the key properties of 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one?
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one has a molecular weight of 372.42 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one is sourced from PubChem (CID 44963511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).