1-phenyl-2-(pyridin-4-ylmethoxy)ethanone

C14H13NO2 — CID 23312308

IUPAC1-phenyl-2-(pyridin-4-ylmethoxy)ethanone
SMILESO=C(COCc1ccncc1)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(13-4-2-1-3-5-13)11-17-10-12-6-8-15-9-7-12/h1-9H,10-11H2
InChIKeyCHJYYLRWGVIRAV-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.48
Rot. Bonds5

About 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone

1-phenyl-2-(pyridin-4-ylmethoxy)ethanone (PubChem CID 23312308) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(pyridin-4-ylmethoxy)ethanone
PubChem CID23312308
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-phenyl-2-(pyridin-4-ylmethoxy)ethanone
SMILESO=C(COCc1ccncc1)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(13-4-2-1-3-5-13)11-17-10-12-6-8-15-9-7-12/h1-9H,10-11H2
InChIKeyCHJYYLRWGVIRAV-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
2-phenacyloxy-1-phenylethanone
CID 12781821
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
propan-2-yl 2-(pyridin-4-ylmethoxy)acetate
CID 83213799
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
1-(2-methyltriazol-4-yl)-2-phenylmethoxyethanone
CID 131071593
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
2-(pyridin-4-ylmethoxy)ethylcarbamic acid
CID 69184657
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide
CID 119051213

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone?
The IUPAC name of 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone (CID 23312308) is 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone.
What is the SMILES notation for 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone?
The canonical SMILES for 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone is O=C(COCc1ccncc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone?
The InChIKey is CHJYYLRWGVIRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(13-4-2-1-3-5-13)11-17-10-12-6-8-15-9-7-12/h1-9H,10-11H2.
What are the key properties of 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone?
1-phenyl-2-(pyridin-4-ylmethoxy)ethanone has a molecular weight of 227.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(pyridin-4-ylmethoxy)ethanone is sourced from PubChem (CID 23312308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).