7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one

C17H14O6 — CID 16743458

IUPAC7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
SMILESCOc1cc(O)cc(-c2coc3cc(O)c(OC)cc3c2=O)c1
InChIInChI=1S/C17H14O6/c1-21-11-4-9(3-10(18)5-11)13-8-23-15-7-14(19)16(22-2)6-12(15)17(13)20/h3-8,18-19H,1-2H3
InChIKeyLRMDFKGVTUNYSD-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.89
Rot. Bonds3

About 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one

7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one (PubChem CID 16743458) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
PubChem CID16743458
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
SMILESCOc1cc(O)cc(-c2coc3cc(O)c(OC)cc3c2=O)c1
InChIInChI=1S/C17H14O6/c1-21-11-4-9(3-10(18)5-11)13-8-23-15-7-14(19)16(22-2)6-12(15)17(13)20/h3-8,18-19H,1-2H3
InChIKeyLRMDFKGVTUNYSD-UHFFFAOYSA-N
XLogP2.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one?
The IUPAC name of 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one (CID 16743458) is 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one?
The canonical SMILES for 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one is COc1cc(O)cc(-c2coc3cc(O)c(OC)cc3c2=O)c1.
What is the InChIKey of 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one?
The InChIKey is LRMDFKGVTUNYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-21-11-4-9(3-10(18)5-11)13-8-23-15-7-14(19)16(22-2)6-12(15)17(13)20/h3-8,18-19H,1-2H3.
What are the key properties of 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one?
7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one has a molecular weight of 314.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one is sourced from PubChem (CID 16743458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).