3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one

C19H18O6 — CID 638205

IUPAC3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
SMILESCOc1ccc(-c2coc3c(OC)c(OC)ccc3c2=O)cc1OC
InChIInChI=1S/C19H18O6/c1-21-14-7-5-11(9-16(14)23-3)13-10-25-18-12(17(13)20)6-8-15(22-2)19(18)24-4/h5-10H,1-4H3
InChIKeyNSPBRNGTERFXKK-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.49
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one

3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one (PubChem CID 638205) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
PubChem CID638205
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
SMILESCOc1ccc(-c2coc3c(OC)c(OC)ccc3c2=O)cc1OC
InChIInChI=1S/C19H18O6/c1-21-14-7-5-11(9-16(14)23-3)13-10-25-18-12(17(13)20)6-8-15(22-2)19(18)24-4/h5-10H,1-4H3
InChIKeyNSPBRNGTERFXKK-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

3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 91973754
CID 170734664
CID 170734664
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
CID 142746801
(10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 125122047
2-[4-(7,8-dimethoxy-4-oxochromen-3-yl)phenoxy]acetic acid
CID 54135854
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
3-[3-(10-fluorodecyl)phenyl]-7,8-dimethoxychromen-4-one
CID 170734650
4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid
CID 21270150
3,9-bis(3,4-dimethoxyphenyl)-5-hydroxypyrano[2,3-h]chromene-4,10-dione
CID 127051628
8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 14044483
7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 740724

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one (CID 638205) is 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one is COc1ccc(-c2coc3c(OC)c(OC)ccc3c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one?
The InChIKey is NSPBRNGTERFXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-21-14-7-5-11(9-16(14)23-3)13-10-25-18-12(17(13)20)6-8-15(22-2)19(18)24-4/h5-10H,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one?
3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-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 3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one is sourced from PubChem (CID 638205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).