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

C19H18O6 — CID 18761939

IUPAC5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(OC)cccc3o2)cc(OC)c1OC
InChIInChI=1S/C19H18O6/c1-21-13-6-5-7-14-18(13)12(20)10-15(25-14)11-8-16(22-2)19(24-4)17(9-11)23-3/h5-10H,1-4H3
InChIKeyYFKMSUGAUYOYBI-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.49
Rot. Bonds5

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

5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 18761939) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID18761939
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(OC)cccc3o2)cc(OC)c1OC
InChIInChI=1S/C19H18O6/c1-21-13-6-5-7-14-18(13)12(20)10-15(25-14)11-8-16(22-2)19(24-4)17(9-11)23-3/h5-10H,1-4H3
InChIKeyYFKMSUGAUYOYBI-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

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Related Compounds

[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl] acetate
CID 71413141
5-[2-hydroxy-3-[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]oxypropoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 13302213
3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
CID 5073343
2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
CID 10041721
2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one
CID 71421837
7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 72703441
6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 71739541
[4-oxo-2-(3,4,5-triacetyloxyphenyl)chromen-5-yl] acetate
CID 71403984
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 142743418
2-amino-5-methoxychromen-4-one
CID 134860119
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CID 18761939) is 5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is COc1cc(-c2cc(=O)c3c(OC)cccc3o2)cc(OC)c1OC.
What is the InChIKey of 5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is YFKMSUGAUYOYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-21-13-6-5-7-14-18(13)12(20)10-15(25-14)11-8-16(22-2)19(24-4)17(9-11)23-3/h5-10H,1-4H3.
What are the key properties of 5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-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 5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 18761939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).