3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one

C13H12N2O3 — CID 12953638

IUPAC3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)C(n1ccnc1)CO2
InChIInChI=1S/C13H12N2O3/c1-17-9-2-3-12-10(6-9)13(16)11(7-18-12)15-5-4-14-8-15/h2-6,8,11H,7H2,1H3
InChIKeyOYHQUWIMCMXLHH-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.71
Rot. Bonds2

About 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one

3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 12953638) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID12953638
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)C(n1ccnc1)CO2
InChIInChI=1S/C13H12N2O3/c1-17-9-2-3-12-10(6-9)13(16)11(7-18-12)15-5-4-14-8-15/h2-6,8,11H,7H2,1H3
InChIKeyOYHQUWIMCMXLHH-UHFFFAOYSA-N
XLogP1.71
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one
CID 10585323
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
CID 10588478
3-(Imidazolylmethyl)flavone
CID 11847316
1-Imidazol-1-ylmethylxanthen-9-one
CID 46867545
4-(Imidazol-1-ylmethyl)-2-pent-2-ynoxyxanthen-9-one
CID 156013925
2-(Imidazol-1-ylmethyl)chromen-4-one
CID 22406650
7-Fluoro-3-(imidazol-1-ylmethyl)chromen-4-one
CID 127027254
7-Fluoro-2-(imidazol-1-ylmethyl)chromen-4-one
CID 127027570
3-(Imidazol-1-ylmethyl)chromen-4-one
CID 127028818
2-Imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone
CID 118723942
(3Z)-6-methoxy-3-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]chromen-4-one
CID 97836905
3-[(1E,4E)-3-oxo-5-(1-pentan-2-ylimidazol-2-yl)penta-1,4-dienyl]chromen-4-one
CID 122192033

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one (CID 12953638) is 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)C(n1ccnc1)CO2.
What is the InChIKey of 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is OYHQUWIMCMXLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-9-2-3-12-10(6-9)13(16)11(7-18-12)15-5-4-14-8-15/h2-6,8,11H,7H2,1H3.
What are the key properties of 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one?
3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 244.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12953638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).