7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one

C15H14N2O3 — CID 3074198

IUPAC7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCCn3ccnc3)ccc12
InChIInChI=1S/C15H14N2O3/c1-11-8-15(18)20-14-9-12(2-3-13(11)14)19-7-6-17-5-4-16-10-17/h2-5,8-10H,6-7H2,1H3
InChIKeyFEUVGMYTAUWITK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.38
Rot. Bonds4

About 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one

7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one (PubChem CID 3074198) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
PubChem CID3074198
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCCn3ccnc3)ccc12
InChIInChI=1S/C15H14N2O3/c1-11-8-15(18)20-14-9-12(2-3-13(11)14)19-7-6-17-5-4-16-10-17/h2-5,8-10H,6-7H2,1H3
InChIKeyFEUVGMYTAUWITK-UHFFFAOYSA-N
XLogP2.38
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-7-[4-(1,2,4-triazol-1-yl)butoxy]chromen-2-one
CID 53320472
4-methyl-7-[5-(1,2,4-triazol-1-yl)pentoxy]chromen-2-one
CID 53320470
7-[2-(6-aminopurin-9-yl)ethoxy]-4-methylchromen-2-one
CID 3074200
5-(4-methyl-2-oxochromen-7-yl)oxypentanenitrile
CID 60673473
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
4-methyl-7-[2-[4-(2-phenylethyl)triazol-1-yl]ethoxy]chromen-2-one
CID 155561921
7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one
CID 134816331
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde
CID 43471263
7-(5,6-dihydroxyhexoxy)-4-methylchromen-2-one
CID 89150777
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429

Frequently Asked Questions

What is the IUPAC name of 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one?
The IUPAC name of 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one (CID 3074198) is 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one.
What is the SMILES notation for 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one?
The canonical SMILES for 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OCCn3ccnc3)ccc12.
What is the InChIKey of 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one?
The InChIKey is FEUVGMYTAUWITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11-8-15(18)20-14-9-12(2-3-13(11)14)19-7-6-17-5-4-16-10-17/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one?
7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one is sourced from PubChem (CID 3074198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).