6,7-dimethoxychromen-2-one

C11H10O4 — CID 8417

IUPAC6,7-dimethoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2cc1OC
InChIInChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChIKeyGUAFOGOEJLSQBT-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.81
Rot. Bonds2

About 6,7-dimethoxychromen-2-one

6,7-dimethoxychromen-2-one (PubChem CID 8417) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name6,7-dimethoxychromen-2-one
PubChem CID8417
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name6,7-dimethoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2cc1OC
InChIInChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChIKeyGUAFOGOEJLSQBT-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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Related Compounds

Osthol
CID 10228
Daphnetin
CID 5280569
Scopoletin
CID 5280460
Esculetin
CID 5281416
Asarone
CID 636822
4-Methylesculetin
CID 5319502
Esculin
CID 5281417
4-Hydroxy-3,5-dimethoxycinnamic acid
CID 637775
Auraptene
CID 1550607
5,7-Dimethoxycoumarin
CID 2775
Methylumbelliferone
CID 10748
3,4,5-Trimethoxycinnamic acid
CID 735755

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxychromen-2-one?
The IUPAC name of 6,7-dimethoxychromen-2-one (CID 8417) is 6,7-dimethoxychromen-2-one.
What is the SMILES notation for 6,7-dimethoxychromen-2-one?
The canonical SMILES for 6,7-dimethoxychromen-2-one is COc1cc2ccc(=O)oc2cc1OC.
What is the InChIKey of 6,7-dimethoxychromen-2-one?
The InChIKey is GUAFOGOEJLSQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3.
What are the key properties of 6,7-dimethoxychromen-2-one?
6,7-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 6,7-dimethoxychromen-2-one is sourced from PubChem (CID 8417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).