1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one

C14H11Cl2NO2 — CID 118200456

IUPAC1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Oc2ccnc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO2/c1-9(18)6-10-2-3-13(12(15)7-10)19-11-4-5-17-14(16)8-11/h2-5,7-8H,6H2,1H3
InChIKeyOANRGHJJQVXFCV-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.31
Rot. Bonds4

About 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one

1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one (PubChem CID 118200456) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one
PubChem CID118200456
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Oc2ccnc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO2/c1-9(18)6-10-2-3-13(12(15)7-10)19-11-4-5-17-14(16)8-11/h2-5,7-8H,6H2,1H3
InChIKeyOANRGHJJQVXFCV-UHFFFAOYSA-N
XLogP4.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate
CID 88964578
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
CID 158219679
CID 158219679
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
[2-chloro-4-(2-oxopropyl)phenyl] trifluoromethanesulfonate
CID 89027463
methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate
CID 72942082
methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716
N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 129225585
2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107712373
1-(3-chloro-4-sulfanylphenyl)propan-2-one
CID 118830154
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
ethyl 2-[4-(4-amino-3-methylphenoxy)-3-chlorophenyl]acetate
CID 89159471

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one?
The IUPAC name of 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one (CID 118200456) is 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one?
The canonical SMILES for 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one is CC(=O)Cc1ccc(Oc2ccnc(Cl)c2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one?
The InChIKey is OANRGHJJQVXFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-9(18)6-10-2-3-13(12(15)7-10)19-11-4-5-17-14(16)8-11/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one?
1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one has a molecular weight of 296.15 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one is sourced from PubChem (CID 118200456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).