2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one

C18H19NO3 — CID 44522523

IUPAC2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one
SMILESCc1cc(OCc2ccncc2)cc2c1C(=O)CC(C)(C)O2
InChIInChI=1S/C18H19NO3/c1-12-8-14(21-11-13-4-6-19-7-5-13)9-16-17(12)15(20)10-18(2,3)22-16/h4-9H,10-11H2,1-3H3
InChIKeyWUJSLQCDBYYYMB-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.71
Rot. Bonds3

About 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one

2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one (PubChem CID 44522523) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one.

Molecular Properties

Compound Name2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one
PubChem CID44522523
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one
SMILESCc1cc(OCc2ccncc2)cc2c1C(=O)CC(C)(C)O2
InChIInChI=1S/C18H19NO3/c1-12-8-14(21-11-13-4-6-19-7-5-13)9-16-17(12)15(20)10-18(2,3)22-16/h4-9H,10-11H2,1-3H3
InChIKeyWUJSLQCDBYYYMB-UHFFFAOYSA-N
XLogP3.71
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-yl}oxy)propyl]amino}methyl)phenyl N-methylcarbamate hydrochloride
CID 10368032
7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10026826
7-Methoxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 11153057
7-Methoxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164739
7-methoxy-3-(4-methylphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11176755
3-(4-Methoxyphenyl)-7-(phenylmethoxy)-2-[(4-pyridylmethyl)thio]4H-1-benzopyran-4-one
CID 11179136
7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11246736
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
Dilmefone
CID 6445006
2-Phenyl-3-pyridin-4-ylmethylene-chroman-4-one
CID 6116651
3-Phenyl-7-(4-fluorophenylmethoxy)-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 23644948
3-phenyl-7-[(4-phenylphenyl)methoxy]-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 23644951

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one?
The IUPAC name of 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one (CID 44522523) is 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one.
What is the SMILES notation for 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one?
The canonical SMILES for 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one is Cc1cc(OCc2ccncc2)cc2c1C(=O)CC(C)(C)O2.
What is the InChIKey of 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one?
The InChIKey is WUJSLQCDBYYYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-8-14(21-11-13-4-6-19-7-5-13)9-16-17(12)15(20)10-18(2,3)22-16/h4-9H,10-11H2,1-3H3.
What are the key properties of 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one?
2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one has a molecular weight of 297.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-7-(pyridin-4-ylmethoxy)-3H-chromen-4-one is sourced from PubChem (CID 44522523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).