2-(2-chloroethoxy)-1,2-diphenylethanone

C16H15ClO2 — CID 12628444

IUPAC2-(2-chloroethoxy)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(OCCCl)c1ccccc1
InChIInChI=1S/C16H15ClO2/c17-11-12-19-16(14-9-5-2-6-10-14)15(18)13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKeyHWPKOCOPMHMIQG-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.87
Rot. Bonds6

About 2-(2-chloroethoxy)-1,2-diphenylethanone

2-(2-chloroethoxy)-1,2-diphenylethanone (PubChem CID 12628444) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(2-chloroethoxy)-1,2-diphenylethanone
PubChem CID12628444
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-(2-chloroethoxy)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(OCCCl)c1ccccc1
InChIInChI=1S/C16H15ClO2/c17-11-12-19-16(14-9-5-2-6-10-14)15(18)13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKeyHWPKOCOPMHMIQG-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
CID 736037
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
2-(2,3-dimethylbutoxy)-1,2-diphenylethanone
CID 175210232
2-(2-methylpropoxymethoxy)-1,2-diphenylethanone
CID 57254224
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
(2-oxo-1,2-diphenylethyl) 2,2,2-trichloroacetate
CID 101263955
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-1,2-diphenylethanone?
The IUPAC name of 2-(2-chloroethoxy)-1,2-diphenylethanone (CID 12628444) is 2-(2-chloroethoxy)-1,2-diphenylethanone.
What is the SMILES notation for 2-(2-chloroethoxy)-1,2-diphenylethanone?
The canonical SMILES for 2-(2-chloroethoxy)-1,2-diphenylethanone is O=C(c1ccccc1)C(OCCCl)c1ccccc1.
What is the InChIKey of 2-(2-chloroethoxy)-1,2-diphenylethanone?
The InChIKey is HWPKOCOPMHMIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c17-11-12-19-16(14-9-5-2-6-10-14)15(18)13-7-3-1-4-8-13/h1-10,16H,11-12H2.
What are the key properties of 2-(2-chloroethoxy)-1,2-diphenylethanone?
2-(2-chloroethoxy)-1,2-diphenylethanone has a molecular weight of 274.75 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-1,2-diphenylethanone is sourced from PubChem (CID 12628444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).