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

C16H12O5 — CID 5321501

IUPAC6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one
SMILESCOc1cc2oc(=O)cc(-c3cccc(O)c3)c2cc1O
InChIInChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-3-2-4-10(17)5-9/h2-8,17-18H,1H3
InChIKeyMYVNFPJTNYAPDH-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

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

6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one (PubChem CID 5321501) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one
PubChem CID5321501
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one
SMILESCOc1cc2oc(=O)cc(-c3cccc(O)c3)c2cc1O
InChIInChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-3-2-4-10(17)5-9/h2-8,17-18H,1H3
InChIKeyMYVNFPJTNYAPDH-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxyphenyl)-7-methoxychromen-2-one?
The IUPAC name of 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one (CID 5321501) is 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one.
What is the SMILES notation for 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one?
The canonical SMILES for 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one is COc1cc2oc(=O)cc(-c3cccc(O)c3)c2cc1O.
What is the InChIKey of 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one?
The InChIKey is MYVNFPJTNYAPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-3-2-4-10(17)5-9/h2-8,17-18H,1H3.
What are the key properties of 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one?
6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one has a molecular weight of 284.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one is sourced from PubChem (CID 5321501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).