6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one

C17H14O5 — CID 42604870

IUPAC6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
SMILESCOc1cc(-c2coc3cc(C)c(O)cc3c2=O)ccc1O
InChIInChI=1S/C17H14O5/c1-9-5-15-11(7-14(9)19)17(20)12(8-22-15)10-3-4-13(18)16(6-10)21-2/h3-8,18-19H,1-2H3
InChIKeyIEDXTJQMIGFVCI-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.19
Rot. Bonds2

About 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one

6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one (PubChem CID 42604870) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one.

Molecular Properties

Compound Name6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
PubChem CID42604870
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
SMILESCOc1cc(-c2coc3cc(C)c(O)cc3c2=O)ccc1O
InChIInChI=1S/C17H14O5/c1-9-5-15-11(7-14(9)19)17(20)12(8-22-15)10-3-4-13(18)16(6-10)21-2/h3-8,18-19H,1-2H3
InChIKeyIEDXTJQMIGFVCI-UHFFFAOYSA-N
XLogP3.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
3-(4-aminophenyl)-6,7-dimethylchromen-4-one
CID 119106347
6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
CID 15485381
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 56946608
3-(4-hydroxy-3-nitrophenyl)-6-methyl-7-nitrochromen-4-one
CID 141110186
7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
CID 16743458
7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one
CID 169433907
6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one
CID 58480721
7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
CID 59021643
3,9-bis(3,4-dimethoxyphenyl)-5-hydroxypyrano[2,3-h]chromene-4,10-dione
CID 127051628

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one?
The IUPAC name of 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one (CID 42604870) is 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one.
What is the SMILES notation for 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one?
The canonical SMILES for 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one is COc1cc(-c2coc3cc(C)c(O)cc3c2=O)ccc1O.
What is the InChIKey of 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one?
The InChIKey is IEDXTJQMIGFVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-9-5-15-11(7-14(9)19)17(20)12(8-22-15)10-3-4-13(18)16(6-10)21-2/h3-8,18-19H,1-2H3.
What are the key properties of 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one?
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one has a molecular weight of 298.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one is sourced from PubChem (CID 42604870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).