3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one

C24H20O5 — CID 1033895

IUPAC3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one
SMILESCOc1ccc(Oc2coc3cc(OCc4cccc(C)c4)ccc3c2=O)cc1
InChIInChI=1S/C24H20O5/c1-16-4-3-5-17(12-16)14-27-20-10-11-21-22(13-20)28-15-23(24(21)25)29-19-8-6-18(26-2)7-9-19/h3-13,15H,14H2,1-2H3
InChIKeySTNJDDOXOPSVNU-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.48
Rot. Bonds6

About 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one

3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one (PubChem CID 1033895) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one
PubChem CID1033895
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one
SMILESCOc1ccc(Oc2coc3cc(OCc4cccc(C)c4)ccc3c2=O)cc1
InChIInChI=1S/C24H20O5/c1-16-4-3-5-17(12-16)14-27-20-10-11-21-22(13-20)28-15-23(24(21)25)29-19-8-6-18(26-2)7-9-19/h3-13,15H,14H2,1-2H3
InChIKeySTNJDDOXOPSVNU-UHFFFAOYSA-N
XLogP5.48
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 1182864
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 163138200
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
N-hydroxy-4-[[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
CID 163121299
5-[[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138893
5-[[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138892
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3,3-dimethylbutanoate
CID 2791400
3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one
CID 709023
5-[[3-(4-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138917
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4226667
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one?
The IUPAC name of 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one (CID 1033895) is 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one.
What is the SMILES notation for 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one?
The canonical SMILES for 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one is COc1ccc(Oc2coc3cc(OCc4cccc(C)c4)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one?
The InChIKey is STNJDDOXOPSVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c1-16-4-3-5-17(12-16)14-27-20-10-11-21-22(13-20)28-15-23(24(21)25)29-19-8-6-18(26-2)7-9-19/h3-13,15H,14H2,1-2H3.
What are the key properties of 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one?
3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one has a molecular weight of 388.42 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one is sourced from PubChem (CID 1033895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).