7-hydroxy-6-methoxychromen-2-one

C10H8O4 — CID 5280460

IUPAC7-hydroxy-6-methoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2cc1O
InChIInChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKeyRODXRVNMMDRFIK-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.51
Rot. Bonds1

About 7-hydroxy-6-methoxychromen-2-one

7-hydroxy-6-methoxychromen-2-one (PubChem CID 5280460) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 7-hydroxy-6-methoxychromen-2-one.

Molecular Properties

Compound Name7-hydroxy-6-methoxychromen-2-one
PubChem CID5280460
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name7-hydroxy-6-methoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2cc1O
InChIInChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKeyRODXRVNMMDRFIK-UHFFFAOYSA-N
XLogP1.51
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methoxychromen-2-one?
The IUPAC name of 7-hydroxy-6-methoxychromen-2-one (CID 5280460) is 7-hydroxy-6-methoxychromen-2-one.
What is the SMILES notation for 7-hydroxy-6-methoxychromen-2-one?
The canonical SMILES for 7-hydroxy-6-methoxychromen-2-one is COc1cc2ccc(=O)oc2cc1O.
What is the InChIKey of 7-hydroxy-6-methoxychromen-2-one?
The InChIKey is RODXRVNMMDRFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3.
What are the key properties of 7-hydroxy-6-methoxychromen-2-one?
7-hydroxy-6-methoxychromen-2-one has a molecular weight of 192.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methoxychromen-2-one is sourced from PubChem (CID 5280460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).