4-(4-phenylmethoxybutyl)-1H-pyridin-2-one

C16H19NO2 — CID 72906295

IUPAC4-(4-phenylmethoxybutyl)-1H-pyridin-2-one
SMILESO=c1cc(CCCCOCc2ccccc2)cc[nH]1
InChIInChI=1S/C16H19NO2/c18-16-12-14(9-10-17-16)6-4-5-11-19-13-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11,13H2,(H,17,18)
InChIKeyYYGFLMBGGISNSA-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.91
Rot. Bonds7

About 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one

4-(4-phenylmethoxybutyl)-1H-pyridin-2-one (PubChem CID 72906295) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-phenylmethoxybutyl)-1H-pyridin-2-one
PubChem CID72906295
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(4-phenylmethoxybutyl)-1H-pyridin-2-one
SMILESO=c1cc(CCCCOCc2ccccc2)cc[nH]1
InChIInChI=1S/C16H19NO2/c18-16-12-14(9-10-17-16)6-4-5-11-19-13-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11,13H2,(H,17,18)
InChIKeyYYGFLMBGGISNSA-UHFFFAOYSA-N
XLogP2.91
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-butoxyethyl)-1H-pyridin-2-one
CID 89218286
4-(4-phenylbutoxymethyl)aniline
CID 114332885
1-iodo-3,5-bis(3-phenylmethoxypropyl)benzene
CID 10907222
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
8-(8-phenyloctoxy)octylbenzene
CID 56628536
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
1-butyl-3-(4-phenylmethoxybutoxy)benzene
CID 69097411
1-(2-bromoethyl)-3-(3-phenylmethoxypropoxymethyl)benzene
CID 69436403
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
3-methyl-2-(4-phenylmethoxybutyl)-1H-quinolin-4-one
CID 59527358

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one (CID 72906295) is 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one is O=c1cc(CCCCOCc2ccccc2)cc[nH]1.
What is the InChIKey of 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one?
The InChIKey is YYGFLMBGGISNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-16-12-14(9-10-17-16)6-4-5-11-19-13-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11,13H2,(H,17,18).
What are the key properties of 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one?
4-(4-phenylmethoxybutyl)-1H-pyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxybutyl)-1H-pyridin-2-one is sourced from PubChem (CID 72906295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).