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

C12H14O3 — CID 11790374

IUPAC5-methoxy-2,2-dimethyl-3H-chromen-4-one
SMILESCOc1cccc2c1C(=O)CC(C)(C)O2
InChIInChI=1S/C12H14O3/c1-12(2)7-8(13)11-9(14-3)5-4-6-10(11)15-12/h4-6H,7H2,1-3H3
InChIKeyRWFBDXQSHYXJRA-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.44
Rot. Bonds1

About 5-methoxy-2,2-dimethyl-3H-chromen-4-one

5-methoxy-2,2-dimethyl-3H-chromen-4-one (PubChem CID 11790374) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-3H-chromen-4-one
PubChem CID11790374
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5-methoxy-2,2-dimethyl-3H-chromen-4-one
SMILESCOc1cccc2c1C(=O)CC(C)(C)O2
InChIInChI=1S/C12H14O3/c1-12(2)7-8(13)11-9(14-3)5-4-6-10(11)15-12/h4-6H,7H2,1-3H3
InChIKeyRWFBDXQSHYXJRA-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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Related Compounds

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Ipriflavone
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Flavanone
CID 10251
Liquiritigenin
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(+)-Pinocembrin
CID 68071
(+-)-Naringenin
CID 932
Xanthone
CID 7020
Genkwanin
CID 5281617
Sophoraflavanone B
CID 480764

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 5-methoxy-2,2-dimethyl-3H-chromen-4-one (CID 11790374) is 5-methoxy-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 5-methoxy-2,2-dimethyl-3H-chromen-4-one is COc1cccc2c1C(=O)CC(C)(C)O2.
What is the InChIKey of 5-methoxy-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is RWFBDXQSHYXJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2)7-8(13)11-9(14-3)5-4-6-10(11)15-12/h4-6H,7H2,1-3H3.
What are the key properties of 5-methoxy-2,2-dimethyl-3H-chromen-4-one?
5-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 5-methoxy-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 11790374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).