7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one

C19H18O6 — CID 155816497

IUPAC7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
SMILESCOc1ccc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc2c1
InChIInChI=1S/C19H18O6/c1-21-13-6-5-11-7-14(19(20)25-15(11)10-13)12-8-16(22-2)18(24-4)17(9-12)23-3/h5-10H,1-4H3
InChIKeyHNJOSSJMCUNZPJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.49
Rot. Bonds5

About 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one

7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one (PubChem CID 155816497) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
PubChem CID155816497
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
SMILESCOc1ccc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc2c1
InChIInChI=1S/C19H18O6/c1-21-13-6-5-11-7-14(19(20)25-15(11)10-13)12-8-16(22-2)18(24-4)17(9-12)23-3/h5-10H,1-4H3
InChIKeyHNJOSSJMCUNZPJ-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

7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032
7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one
CID 57040654
[3-(3,4-dimethoxyphenyl)-2-oxochromen-7-yl] methanesulfonate
CID 7198451
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464
3-(4-methoxyphenyl)-2-oxochromene-7-carbonitrile
CID 124928122
7-methoxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 22423891
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
3-(3,4-dimethoxyphenyl)-7-(2-methylprop-2-enoxy)chromen-2-one
CID 1424965
[3-(4-methoxyphenyl)-2-oxochromen-7-yl] trifluoromethanesulfonate
CID 86657006
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one?
The IUPAC name of 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one (CID 155816497) is 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one.
What is the SMILES notation for 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one?
The canonical SMILES for 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one is COc1ccc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one?
The InChIKey is HNJOSSJMCUNZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-21-13-6-5-11-7-14(19(20)25-15(11)10-13)12-8-16(22-2)18(24-4)17(9-12)23-3/h5-10H,1-4H3.
What are the key properties of 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one?
7-methoxy-3-(3,4,5-trimethoxyphenyl)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 7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one is sourced from PubChem (CID 155816497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).