2,5-bis(phenylmethoxy)-1H-pyridin-4-one

C19H17NO3 — CID 54191068

IUPAC2,5-bis(phenylmethoxy)-1H-pyridin-4-one
SMILESO=c1cc(OCc2ccccc2)[nH]cc1OCc1ccccc1
InChIInChI=1S/C19H17NO3/c21-17-11-19(23-14-16-9-5-2-6-10-16)20-12-18(17)22-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,20,21)
InChIKeyPIOAMPBKTMWJFV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.53
Rot. Bonds6

About 2,5-bis(phenylmethoxy)-1H-pyridin-4-one

2,5-bis(phenylmethoxy)-1H-pyridin-4-one (PubChem CID 54191068) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2,5-bis(phenylmethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2,5-bis(phenylmethoxy)-1H-pyridin-4-one
PubChem CID54191068
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2,5-bis(phenylmethoxy)-1H-pyridin-4-one
SMILESO=c1cc(OCc2ccccc2)[nH]cc1OCc1ccccc1
InChIInChI=1S/C19H17NO3/c21-17-11-19(23-14-16-9-5-2-6-10-16)20-12-18(17)22-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,20,21)
InChIKeyPIOAMPBKTMWJFV-UHFFFAOYSA-N
XLogP3.53
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride
CID 161262115
2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one
CID 67282165
5-nitro-2-phenylmethoxy-1H-pyridin-4-one
CID 146662488
4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472
5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one
CID 15077302
N-(4-fluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442339
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one
CID 166675925
5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
CID 82017868
N-(3,4-difluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442345
2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one
CID 82063819
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(phenylmethoxy)-1H-pyridin-4-one?
The IUPAC name of 2,5-bis(phenylmethoxy)-1H-pyridin-4-one (CID 54191068) is 2,5-bis(phenylmethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2,5-bis(phenylmethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2,5-bis(phenylmethoxy)-1H-pyridin-4-one is O=c1cc(OCc2ccccc2)[nH]cc1OCc1ccccc1.
What is the InChIKey of 2,5-bis(phenylmethoxy)-1H-pyridin-4-one?
The InChIKey is PIOAMPBKTMWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-17-11-19(23-14-16-9-5-2-6-10-16)20-12-18(17)22-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,20,21).
What are the key properties of 2,5-bis(phenylmethoxy)-1H-pyridin-4-one?
2,5-bis(phenylmethoxy)-1H-pyridin-4-one has a molecular weight of 307.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(phenylmethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 54191068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).