6-methoxy-2,2-dimethyl-3H-chromen-4-one

C12H14O3 — CID 12531626

IUPAC6-methoxy-2,2-dimethyl-3H-chromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(C)(C)O2
InChIInChI=1S/C12H14O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6H,7H2,1-3H3
InChIKeyZCZUDOBLRMXOGV-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.44
Rot. Bonds1

About 6-methoxy-2,2-dimethyl-3H-chromen-4-one

6-methoxy-2,2-dimethyl-3H-chromen-4-one (PubChem CID 12531626) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-3H-chromen-4-one
PubChem CID12531626
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name6-methoxy-2,2-dimethyl-3H-chromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(C)(C)O2
InChIInChI=1S/C12H14O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6H,7H2,1-3H3
InChIKeyZCZUDOBLRMXOGV-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 6-methoxy-2,2-dimethyl-3H-chromen-4-one (CID 12531626) is 6-methoxy-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 6-methoxy-2,2-dimethyl-3H-chromen-4-one is COc1ccc2c(c1)C(=O)CC(C)(C)O2.
What is the InChIKey of 6-methoxy-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is ZCZUDOBLRMXOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6H,7H2,1-3H3.
What are the key properties of 6-methoxy-2,2-dimethyl-3H-chromen-4-one?
6-methoxy-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 206.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 12531626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).