5,7-dimethoxychromen-2-one

C11H10O4 — CID 2775

IUPAC5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2ccc(=O)oc2c1
InChIInChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
InChIKeyNXJCRELRQHZBQA-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.81
Rot. Bonds2

About 5,7-dimethoxychromen-2-one

5,7-dimethoxychromen-2-one (PubChem CID 2775) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name5,7-dimethoxychromen-2-one
PubChem CID2775
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2ccc(=O)oc2c1
InChIInChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
InChIKeyNXJCRELRQHZBQA-UHFFFAOYSA-N
XLogP1.81
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
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 5,7-dimethoxychromen-2-one?
The IUPAC name of 5,7-dimethoxychromen-2-one (CID 2775) is 5,7-dimethoxychromen-2-one.
What is the SMILES notation for 5,7-dimethoxychromen-2-one?
The canonical SMILES for 5,7-dimethoxychromen-2-one is COc1cc(OC)c2ccc(=O)oc2c1.
What is the InChIKey of 5,7-dimethoxychromen-2-one?
The InChIKey is NXJCRELRQHZBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3.
What are the key properties of 5,7-dimethoxychromen-2-one?
5,7-dimethoxychromen-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxychromen-2-one is sourced from PubChem (CID 2775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).