7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one

C16H18N2O3 — CID 114672575

IUPAC7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCCCn1cncc1C1CC(=O)c2ccc(OC)cc2O1
InChIInChI=1S/C16H18N2O3/c1-3-6-18-10-17-9-13(18)16-8-14(19)12-5-4-11(20-2)7-15(12)21-16/h4-5,7,9-10,16H,3,6,8H2,1-2H3
InChIKeyMLRYGYFKLLDSLG-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.01
Rot. Bonds4

About 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one

7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one (PubChem CID 114672575) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one
PubChem CID114672575
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCCCn1cncc1C1CC(=O)c2ccc(OC)cc2O1
InChIInChI=1S/C16H18N2O3/c1-3-6-18-10-17-9-13(18)16-8-14(19)12-5-4-11(20-2)7-15(12)21-16/h4-5,7,9-10,16H,3,6,8H2,1-2H3
InChIKeyMLRYGYFKLLDSLG-UHFFFAOYSA-N
XLogP3.01
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948826
2-butan-2-yl-7-methoxy-2,3-dihydrochromen-4-one
CID 23465807
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one
CID 102846041
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114674062
5-(3-propylimidazol-4-yl)oxolan-2-one
CID 103439721
5-(oxiran-2-yl)-1-propylimidazole
CID 66130060

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one (CID 114672575) is 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one is CCCn1cncc1C1CC(=O)c2ccc(OC)cc2O1.
What is the InChIKey of 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one?
The InChIKey is MLRYGYFKLLDSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-6-18-10-17-9-13(18)16-8-14(19)12-5-4-11(20-2)7-15(12)21-16/h4-5,7,9-10,16H,3,6,8H2,1-2H3.
What are the key properties of 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one?
7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one has a molecular weight of 286.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).