1-(4-phenylmethoxy-2-pyridinyl)ethanone

C14H13NO2 — CID 151357228

IUPAC1-(4-phenylmethoxy-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(OCc2ccccc2)ccn1
InChIInChI=1S/C14H13NO2/c1-11(16)14-9-13(7-8-15-14)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyONSNCMICDDJDEE-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-phenylmethoxy-2-pyridinyl)ethanone

1-(4-phenylmethoxy-2-pyridinyl)ethanone (PubChem CID 151357228) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(4-phenylmethoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-phenylmethoxy-2-pyridinyl)ethanone
PubChem CID151357228
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-(4-phenylmethoxy-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(OCc2ccccc2)ccn1
InChIInChI=1S/C14H13NO2/c1-11(16)14-9-13(7-8-15-14)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyONSNCMICDDJDEE-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-amino-2-(4-phenylmethoxy-2-pyridinyl)but-2-enoic acid
CID 170603679
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
(4-phenylmethoxy-2-pyridinyl) carbamate
CID 175517268
2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid
CID 91387791
2-ethyl-4-phenylmethoxypyridine
CID 130153338
1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
CID 162221142
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one
CID 160513371
4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-pyridinyl]pyridine
CID 102467208
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946
1-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethanone
CID 58014066

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-phenylmethoxy-2-pyridinyl)ethanone (CID 151357228) is 1-(4-phenylmethoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-phenylmethoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-phenylmethoxy-2-pyridinyl)ethanone is CC(=O)c1cc(OCc2ccccc2)ccn1.
What is the InChIKey of 1-(4-phenylmethoxy-2-pyridinyl)ethanone?
The InChIKey is ONSNCMICDDJDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11(16)14-9-13(7-8-15-14)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-phenylmethoxy-2-pyridinyl)ethanone?
1-(4-phenylmethoxy-2-pyridinyl)ethanone has a molecular weight of 227.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 151357228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).