1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone

C19H14ClNO2 — CID 57391482

IUPAC1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone
SMILESO=C(COc1ccccc1-c1ccccc1)c1ccc(Cl)nc1
InChIInChI=1S/C19H14ClNO2/c20-19-11-10-15(12-21-19)17(22)13-23-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyGHCVXKMOSYUWTO-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.66
Rot. Bonds5

About 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone

1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone (PubChem CID 57391482) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone
PubChem CID57391482
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone
SMILESO=C(COc1ccccc1-c1ccccc1)c1ccc(Cl)nc1
InChIInChI=1S/C19H14ClNO2/c20-19-11-10-15(12-21-19)17(22)13-23-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyGHCVXKMOSYUWTO-UHFFFAOYSA-N
XLogP4.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone (CID 57391482) is 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone is O=C(COc1ccccc1-c1ccccc1)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone?
The InChIKey is GHCVXKMOSYUWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c20-19-11-10-15(12-21-19)17(22)13-23-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone?
1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone has a molecular weight of 323.78 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone is sourced from PubChem (CID 57391482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).