1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one

C17H19NO4 — CID 167974231

IUPAC1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1cccc(OCC2(O)CCOCC2)c1
InChIInChI=1S/C17H19NO4/c19-16-6-1-2-9-18(16)14-4-3-5-15(12-14)22-13-17(20)7-10-21-11-8-17/h1-6,9,12,20H,7-8,10-11,13H2
InChIKeyFMGBRUKNRBVZNK-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.76
Rot. Bonds4

About 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one

1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one (PubChem CID 167974231) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one
PubChem CID167974231
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1cccc(OCC2(O)CCOCC2)c1
InChIInChI=1S/C17H19NO4/c19-16-6-1-2-9-18(16)14-4-3-5-15(12-14)22-13-17(20)7-10-21-11-8-17/h1-6,9,12,20H,7-8,10-11,13H2
InChIKeyFMGBRUKNRBVZNK-UHFFFAOYSA-N
XLogP1.76
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one
CID 167822885
4-[(3-bromo-4-methylphenoxy)methyl]oxan-4-ol
CID 167959882
4-[(2,6-difluorophenoxy)methyl]oxan-4-ol
CID 167772945
4-[(4-aminophenoxy)methyl]oxan-4-ol
CID 123445715
2-(3-ethylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037319
N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
4-[(4-ethylphenoxy)methyl]oxan-4-ol
CID 126703265
dimethyl 5-[(4-hydroxyoxan-4-yl)methoxy]benzene-1,3-dicarboxylate
CID 167836282
2-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 132764302
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 129397645

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one?
The IUPAC name of 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one (CID 167974231) is 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one?
The canonical SMILES for 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one is O=c1ccccn1-c1cccc(OCC2(O)CCOCC2)c1.
What is the InChIKey of 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one?
The InChIKey is FMGBRUKNRBVZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-16-6-1-2-9-18(16)14-4-3-5-15(12-14)22-13-17(20)7-10-21-11-8-17/h1-6,9,12,20H,7-8,10-11,13H2.
What are the key properties of 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one?
1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one has a molecular weight of 301.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-hydroxyoxan-4-yl)methoxy]phenyl]pyridin-2-one is sourced from PubChem (CID 167974231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).