ethane;1-(6-phenoxy-3-pyridinyl)ethanone

C15H17NO2 — CID 91184231

IUPACethane;1-(6-phenoxy-3-pyridinyl)ethanone
SMILESCC.CC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C13H11NO2.C2H6/c1-10(15)11-7-8-13(14-9-11)16-12-5-3-2-4-6-12;1-2/h2-9H,1H3;1-2H3
InChIKeyQAKBPYXOPLKNPF-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.10
Rot. Bonds3

About ethane;1-(6-phenoxy-3-pyridinyl)ethanone

ethane;1-(6-phenoxy-3-pyridinyl)ethanone (PubChem CID 91184231) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethane;1-(6-phenoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Nameethane;1-(6-phenoxy-3-pyridinyl)ethanone
PubChem CID91184231
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethane;1-(6-phenoxy-3-pyridinyl)ethanone
SMILESCC.CC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C13H11NO2.C2H6/c1-10(15)11-7-8-13(14-9-11)16-12-5-3-2-4-6-12;1-2/h2-9H,1H3;1-2H3
InChIKeyQAKBPYXOPLKNPF-UHFFFAOYSA-N
XLogP4.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-3-pyridinyl)ethanone;1-(6-phenoxy-3-pyridinyl)ethanone
CID 161154288
ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone
CID 143530827
1-(6-pyridin-2-yloxy-3-pyridinyl)ethanone
CID 58109878
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide
CID 111663059
methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 78889163
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide
CID 111596072
1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone
CID 142876508

Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-phenoxy-3-pyridinyl)ethanone?
The IUPAC name of ethane;1-(6-phenoxy-3-pyridinyl)ethanone (CID 91184231) is ethane;1-(6-phenoxy-3-pyridinyl)ethanone.
What is the SMILES notation for ethane;1-(6-phenoxy-3-pyridinyl)ethanone?
The canonical SMILES for ethane;1-(6-phenoxy-3-pyridinyl)ethanone is CC.CC(=O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of ethane;1-(6-phenoxy-3-pyridinyl)ethanone?
The InChIKey is QAKBPYXOPLKNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.C2H6/c1-10(15)11-7-8-13(14-9-11)16-12-5-3-2-4-6-12;1-2/h2-9H,1H3;1-2H3.
What are the key properties of ethane;1-(6-phenoxy-3-pyridinyl)ethanone?
ethane;1-(6-phenoxy-3-pyridinyl)ethanone has a molecular weight of 243.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-phenoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 91184231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).