5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one

C22H17NO5 — CID 11014249

IUPAC5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one
SMILESCn1cc(O)c(=O)cc1COc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C22H17NO5/c1-23-12-20(26)19(25)9-15(23)13-27-16-7-8-21-17(10-16)18(24)11-22(28-21)14-5-3-2-4-6-14/h2-12,26H,13H2,1H3
InChIKeyLHYOQKTWJFGRTI-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.44
Rot. Bonds4

About 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one

5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one (PubChem CID 11014249) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one
PubChem CID11014249
Molecular FormulaC22H17NO5
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one
SMILESCn1cc(O)c(=O)cc1COc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C22H17NO5/c1-23-12-20(26)19(25)9-15(23)13-27-16-7-8-21-17(10-16)18(24)11-22(28-21)14-5-3-2-4-6-14/h2-12,26H,13H2,1H3
InChIKeyLHYOQKTWJFGRTI-UHFFFAOYSA-N
XLogP3.44
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one
CID 10863568
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
CID 14982977
N-(4-fluorophenyl)-2-(4-oxo-2-phenylchromen-6-yl)oxyacetamide
CID 44587554
1,3-dimethyl-6-[4-[2-(4-oxo-2-phenylchromen-6-yl)oxyethyl]piperazin-1-yl]pyrimidine-2,4-dione;oxalic acid
CID 19898762
6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one
CID 21287354
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
6-ethyl-2-phenylchromen-4-one
CID 10999458

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one?
The IUPAC name of 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one (CID 11014249) is 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one is Cn1cc(O)c(=O)cc1COc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one?
The InChIKey is LHYOQKTWJFGRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c1-23-12-20(26)19(25)9-15(23)13-27-16-7-8-21-17(10-16)18(24)11-22(28-21)14-5-3-2-4-6-14/h2-12,26H,13H2,1H3.
What are the key properties of 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one?
5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one has a molecular weight of 375.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one is sourced from PubChem (CID 11014249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).