4-hydroxy-6,7-dimethylchromen-2-one

C11H10O3 — CID 54682088

IUPAC4-hydroxy-6,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)cc(O)c2cc1C
InChIInChI=1S/C11H10O3/c1-6-3-8-9(12)5-11(13)14-10(8)4-7(6)2/h3-5,12H,1-2H3
InChIKeyAYHZQBMBPNZPEY-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.12
Rot. Bonds

About 4-hydroxy-6,7-dimethylchromen-2-one

4-hydroxy-6,7-dimethylchromen-2-one (PubChem CID 54682088) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-hydroxy-6,7-dimethylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-6,7-dimethylchromen-2-one
PubChem CID54682088
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-hydroxy-6,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)cc(O)c2cc1C
InChIInChI=1S/C11H10O3/c1-6-3-8-9(12)5-11(13)14-10(8)4-7(6)2/h3-5,12H,1-2H3
InChIKeyAYHZQBMBPNZPEY-UHFFFAOYSA-N
XLogP2.12
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 4-hydroxy-6,7-dimethylchromen-2-one?
The IUPAC name of 4-hydroxy-6,7-dimethylchromen-2-one (CID 54682088) is 4-hydroxy-6,7-dimethylchromen-2-one.
What is the SMILES notation for 4-hydroxy-6,7-dimethylchromen-2-one?
The canonical SMILES for 4-hydroxy-6,7-dimethylchromen-2-one is Cc1cc2oc(=O)cc(O)c2cc1C.
What is the InChIKey of 4-hydroxy-6,7-dimethylchromen-2-one?
The InChIKey is AYHZQBMBPNZPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-6-3-8-9(12)5-11(13)14-10(8)4-7(6)2/h3-5,12H,1-2H3.
What are the key properties of 4-hydroxy-6,7-dimethylchromen-2-one?
4-hydroxy-6,7-dimethylchromen-2-one has a molecular weight of 190.20 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,7-dimethylchromen-2-one is sourced from PubChem (CID 54682088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).