4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one

C19H18O6 — CID 631155

IUPAC4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2c(OC)c3c(OC)cc(OC)cc3oc2=O)cc1
InChIInChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)16-18(24-4)17-14(23-3)9-13(22-2)10-15(17)25-19(16)20/h5-10H,1-4H3
InChIKeyCAUKKRPQFNQZBE-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.49
Rot. Bonds5

About 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one

4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one (PubChem CID 631155) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
PubChem CID631155
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2c(OC)c3c(OC)cc(OC)cc3oc2=O)cc1
InChIInChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)16-18(24-4)17-14(23-3)9-13(22-2)10-15(17)25-19(16)20/h5-10H,1-4H3
InChIKeyCAUKKRPQFNQZBE-UHFFFAOYSA-N
XLogP3.49
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran
CID 71423688
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
CID 102256311
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155816497
2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one
CID 15552556
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one
CID 102460794

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one (CID 631155) is 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one is COc1ccc(-c2c(OC)c3c(OC)cc(OC)cc3oc2=O)cc1.
What is the InChIKey of 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one?
The InChIKey is CAUKKRPQFNQZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)16-18(24-4)17-14(23-3)9-13(22-2)10-15(17)25-19(16)20/h5-10H,1-4H3.
What are the key properties of 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one?
4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one has a molecular weight of 342.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 631155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).