2,2-bis(4-chlorophenoxy)-1-phenylethanone

C20H14Cl2O3 — CID 54253239

IUPAC2,2-bis(4-chlorophenoxy)-1-phenylethanone
SMILESO=C(c1ccccc1)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2O3/c21-15-6-10-17(11-7-15)24-20(19(23)14-4-2-1-3-5-14)25-18-12-8-16(22)9-13-18/h1-13,20H
InChIKeyQYFUXOGNYPSTAX-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.66
Rot. Bonds6

About 2,2-bis(4-chlorophenoxy)-1-phenylethanone

2,2-bis(4-chlorophenoxy)-1-phenylethanone (PubChem CID 54253239) has the molecular formula C20H14Cl2O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2,2-bis(4-chlorophenoxy)-1-phenylethanone
PubChem CID54253239
Molecular FormulaC20H14Cl2O3
Molecular Weight373.24 g/mol
Exact Mass372.03
IUPAC Name2,2-bis(4-chlorophenoxy)-1-phenylethanone
SMILESO=C(c1ccccc1)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2O3/c21-15-6-10-17(11-7-15)24-20(19(23)14-4-2-1-3-5-14)25-18-12-8-16(22)9-13-18/h1-13,20H
InChIKeyQYFUXOGNYPSTAX-UHFFFAOYSA-N
XLogP5.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
(1-oxo-1-phenylpropan-2-yl) 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 70588424
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate
CID 150624704
1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43411936
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[4-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethoxy]carbonylphenoxy]benzoate
CID 126188262
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone
CID 2797592
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
2-[(4-chlorophenyl)methyl]-1,3-diphenylpropane-1,3-dione
CID 102401186
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone
CID 87812980
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenoxy)-1-phenylethanone?
The IUPAC name of 2,2-bis(4-chlorophenoxy)-1-phenylethanone (CID 54253239) is 2,2-bis(4-chlorophenoxy)-1-phenylethanone.
What is the SMILES notation for 2,2-bis(4-chlorophenoxy)-1-phenylethanone?
The canonical SMILES for 2,2-bis(4-chlorophenoxy)-1-phenylethanone is O=C(c1ccccc1)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenoxy)-1-phenylethanone?
The InChIKey is QYFUXOGNYPSTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O3/c21-15-6-10-17(11-7-15)24-20(19(23)14-4-2-1-3-5-14)25-18-12-8-16(22)9-13-18/h1-13,20H.
What are the key properties of 2,2-bis(4-chlorophenoxy)-1-phenylethanone?
2,2-bis(4-chlorophenoxy)-1-phenylethanone has a molecular weight of 373.24 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenoxy)-1-phenylethanone is sourced from PubChem (CID 54253239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).