7-methoxy-3,4-dimethylchromen-2-one

C12H12O3 — CID 706735

IUPAC7-methoxy-3,4-dimethylchromen-2-one
SMILESCOc1ccc2c(C)c(C)c(=O)oc2c1
InChIInChI=1S/C12H12O3/c1-7-8(2)12(13)15-11-6-9(14-3)4-5-10(7)11/h4-6H,1-3H3
InChIKeyJDNSAFIIOVPTOF-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.42
Rot. Bonds1

About 7-methoxy-3,4-dimethylchromen-2-one

7-methoxy-3,4-dimethylchromen-2-one (PubChem CID 706735) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 7-methoxy-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-3,4-dimethylchromen-2-one
PubChem CID706735
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name7-methoxy-3,4-dimethylchromen-2-one
SMILESCOc1ccc2c(C)c(C)c(=O)oc2c1
InChIInChI=1S/C12H12O3/c1-7-8(2)12(13)15-11-6-9(14-3)4-5-10(7)11/h4-6H,1-3H3
InChIKeyJDNSAFIIOVPTOF-UHFFFAOYSA-N
XLogP2.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.42
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 7-methoxy-3,4-dimethylchromen-2-one?
The IUPAC name of 7-methoxy-3,4-dimethylchromen-2-one (CID 706735) is 7-methoxy-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-methoxy-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-methoxy-3,4-dimethylchromen-2-one is COc1ccc2c(C)c(C)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3,4-dimethylchromen-2-one?
The InChIKey is JDNSAFIIOVPTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-8(2)12(13)15-11-6-9(14-3)4-5-10(7)11/h4-6H,1-3H3.
What are the key properties of 7-methoxy-3,4-dimethylchromen-2-one?
7-methoxy-3,4-dimethylchromen-2-one has a molecular weight of 204.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4-dimethylchromen-2-one is sourced from PubChem (CID 706735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).