8-methoxychromen-2-one

C10H8O3 — CID 520130

IUPAC8-methoxychromen-2-one
SMILESCOc1cccc2ccc(=O)oc12
InChIInChI=1S/C10H8O3/c1-12-8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3
InChIKeyODRDTKMYQDXVGG-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.80
Rot. Bonds1

About 8-methoxychromen-2-one

8-methoxychromen-2-one (PubChem CID 520130) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 8-methoxychromen-2-one.

Molecular Properties

Compound Name8-methoxychromen-2-one
PubChem CID520130
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name8-methoxychromen-2-one
SMILESCOc1cccc2ccc(=O)oc12
InChIInChI=1S/C10H8O3/c1-12-8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3
InChIKeyODRDTKMYQDXVGG-UHFFFAOYSA-N
XLogP1.80
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxychromen-2-one?
The IUPAC name of 8-methoxychromen-2-one (CID 520130) is 8-methoxychromen-2-one.
What is the SMILES notation for 8-methoxychromen-2-one?
The canonical SMILES for 8-methoxychromen-2-one is COc1cccc2ccc(=O)oc12.
What is the InChIKey of 8-methoxychromen-2-one?
The InChIKey is ODRDTKMYQDXVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-12-8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3.
What are the key properties of 8-methoxychromen-2-one?
8-methoxychromen-2-one has a molecular weight of 176.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxychromen-2-one is sourced from PubChem (CID 520130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).