3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

C16H12O6 — CID 5281706

IUPAC3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc2c1
InChIInChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
InChIKeyALFNTRJPGFNJQV-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.59
Rot. Bonds2

About 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one (PubChem CID 5281706) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
PubChem CID5281706
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc2c1
InChIInChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
InChIKeyALFNTRJPGFNJQV-UHFFFAOYSA-N
XLogP2.59
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one (CID 5281706) is 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one is COc1cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc2c1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one?
The InChIKey is ALFNTRJPGFNJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3.
What are the key properties of 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one?
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one has a molecular weight of 300.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one is sourced from PubChem (CID 5281706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).