3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one

C17H14O5 — CID 10804003

IUPAC3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
SMILESCOc1cc(O)c(-c2coc3ccccc3c2=O)cc1OC
InChIInChI=1S/C17H14O5/c1-20-15-7-11(13(18)8-16(15)21-2)12-9-22-14-6-4-3-5-10(14)17(12)19/h3-9,18H,1-2H3
InChIKeyCDBXJSAEBRUYAZ-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.18
Rot. Bonds3

About 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one

3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one (PubChem CID 10804003) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
PubChem CID10804003
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
SMILESCOc1cc(O)c(-c2coc3ccccc3c2=O)cc1OC
InChIInChI=1S/C17H14O5/c1-20-15-7-11(13(18)8-16(15)21-2)12-9-22-14-6-4-3-5-10(14)17(12)19/h3-9,18H,1-2H3
InChIKeyCDBXJSAEBRUYAZ-UHFFFAOYSA-N
XLogP3.18
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
CID 15485381
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
benzene;3-hydroxychromen-4-one
CID 175480795
3-[(3-hydroxy-4-methoxyanilino)methyl]chromen-4-one
CID 175346947
3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
CID 5491550
ethane;3-phenylchromen-4-one
CID 90946880
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951
3-(4-methoxy-2-nitrophenyl)chromen-4-one
CID 122463872
3-phenylchromen-4-one;phosphane
CID 174413449
3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
CID 142746801

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one (CID 10804003) is 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one is COc1cc(O)c(-c2coc3ccccc3c2=O)cc1OC.
What is the InChIKey of 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one?
The InChIKey is CDBXJSAEBRUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-15-7-11(13(18)8-16(15)21-2)12-9-22-14-6-4-3-5-10(14)17(12)19/h3-9,18H,1-2H3.
What are the key properties of 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one?
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one has a molecular weight of 298.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 10804003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).