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

C25H22O4 — CID 44963741

IUPAC3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
SMILESCOc1ccc(-c2c(C)c3ccc(OCc4ccc(C)cc4)cc3oc2=O)cc1
InChIInChI=1S/C25H22O4/c1-16-4-6-18(7-5-16)15-28-21-12-13-22-17(2)24(25(26)29-23(22)14-21)19-8-10-20(27-3)11-9-19/h4-14H,15H2,1-3H3
InChIKeyYLIPQFIGWQKBFP-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.66
Rot. Bonds5

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

3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one (PubChem CID 44963741) has the molecular formula C25H22O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
PubChem CID44963741
Molecular FormulaC25H22O4
Molecular Weight386.45 g/mol
Exact Mass386.15
IUPAC Name3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
SMILESCOc1ccc(-c2c(C)c3ccc(OCc4ccc(C)cc4)cc3oc2=O)cc1
InChIInChI=1S/C25H22O4/c1-16-4-6-18(7-5-16)15-28-21-12-13-22-17(2)24(25(26)29-23(22)14-21)19-8-10-20(27-3)11-9-19/h4-14H,15H2,1-3H3
InChIKeyYLIPQFIGWQKBFP-UHFFFAOYSA-N
XLogP5.66
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.66
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

7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355
3-(4-chlorophenyl)-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
CID 44963498
3-(3,4-dimethoxyphenyl)-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
CID 44963500
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
3-[7-[(4-methoxyphenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid
CID 2927077
6-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 7198723
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one (CID 44963741) is 3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one is COc1ccc(-c2c(C)c3ccc(OCc4ccc(C)cc4)cc3oc2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one?
The InChIKey is YLIPQFIGWQKBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O4/c1-16-4-6-18(7-5-16)15-28-21-12-13-22-17(2)24(25(26)29-23(22)14-21)19-8-10-20(27-3)11-9-19/h4-14H,15H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one?
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one has a molecular weight of 386.45 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one is sourced from PubChem (CID 44963741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).