6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one

C17H14O6 — CID 15560441

IUPAC6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3cc(OC)c(O)cc23)cc1O
InChIInChI=1S/C17H14O6/c1-21-14-4-3-9(5-12(14)18)10-7-17(20)23-15-8-16(22-2)13(19)6-11(10)15/h3-8,18-19H,1-2H3
InChIKeyXZOXEPMJIGHPMG-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.89
Rot. Bonds3

About 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one

6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one (PubChem CID 15560441) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one
PubChem CID15560441
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3cc(OC)c(O)cc23)cc1O
InChIInChI=1S/C17H14O6/c1-21-14-4-3-9(5-12(14)18)10-7-17(20)23-15-8-16(22-2)13(19)6-11(10)15/h3-8,18-19H,1-2H3
InChIKeyXZOXEPMJIGHPMG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one?
The IUPAC name of 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one (CID 15560441) is 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one.
What is the SMILES notation for 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one?
The canonical SMILES for 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one is COc1ccc(-c2cc(=O)oc3cc(OC)c(O)cc23)cc1O.
What is the InChIKey of 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one?
The InChIKey is XZOXEPMJIGHPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-21-14-4-3-9(5-12(14)18)10-7-17(20)23-15-8-16(22-2)13(19)6-11(10)15/h3-8,18-19H,1-2H3.
What are the key properties of 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one?
6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-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 6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one is sourced from PubChem (CID 15560441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).