1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone

C15H14ClNO2 — CID 62030040

IUPAC1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone
SMILESO=C(COCCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2/c16-13-5-3-4-12(10-13)15(18)11-19-9-7-14-6-1-2-8-17-14/h1-6,8,10H,7,9,11H2
InChIKeyQDHNSBKFZYKQGS-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.18
Rot. Bonds6

About 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone

1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone (PubChem CID 62030040) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone
PubChem CID62030040
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone
SMILESO=C(COCCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2/c16-13-5-3-4-12(10-13)15(18)11-19-9-7-14-6-1-2-8-17-14/h1-6,8,10H,7,9,11H2
InChIKeyQDHNSBKFZYKQGS-UHFFFAOYSA-N
XLogP3.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone
CID 62029294
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
3-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 29006188
1-(3-chlorophenyl)-2-prop-2-enoxyethanone
CID 62030238
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone
CID 161392627
N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006248
O-(2-pyridin-2-ylethyl) N-(3-chlorophenyl)carbamothioate
CID 44560122
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006235

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone (CID 62030040) is 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone is O=C(COCCc1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone?
The InChIKey is QDHNSBKFZYKQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-5-3-4-12(10-13)15(18)11-19-9-7-14-6-1-2-8-17-14/h1-6,8,10H,7,9,11H2.
What are the key properties of 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone?
1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone has a molecular weight of 275.74 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone is sourced from PubChem (CID 62030040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).