8-hydroxy-6,7-dimethoxychromen-2-one

C11H10O5 — CID 3083616

IUPAC8-hydroxy-6,7-dimethoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2c(O)c1OC
InChIInChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
InChIKeyQNFBKOHHLAWWTC-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.52
Rot. Bonds2

About 8-hydroxy-6,7-dimethoxychromen-2-one

8-hydroxy-6,7-dimethoxychromen-2-one (PubChem CID 3083616) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 8-hydroxy-6,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name8-hydroxy-6,7-dimethoxychromen-2-one
PubChem CID3083616
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name8-hydroxy-6,7-dimethoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2c(O)c1OC
InChIInChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
InChIKeyQNFBKOHHLAWWTC-UHFFFAOYSA-N
XLogP1.52
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 8-hydroxy-6,7-dimethoxychromen-2-one?
The IUPAC name of 8-hydroxy-6,7-dimethoxychromen-2-one (CID 3083616) is 8-hydroxy-6,7-dimethoxychromen-2-one.
What is the SMILES notation for 8-hydroxy-6,7-dimethoxychromen-2-one?
The canonical SMILES for 8-hydroxy-6,7-dimethoxychromen-2-one is COc1cc2ccc(=O)oc2c(O)c1OC.
What is the InChIKey of 8-hydroxy-6,7-dimethoxychromen-2-one?
The InChIKey is QNFBKOHHLAWWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3.
What are the key properties of 8-hydroxy-6,7-dimethoxychromen-2-one?
8-hydroxy-6,7-dimethoxychromen-2-one has a molecular weight of 222.20 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6,7-dimethoxychromen-2-one is sourced from PubChem (CID 3083616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).