1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone

C16H14Cl2O2 — CID 62030672

IUPAC1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone
SMILESCC(OCC(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl2O2/c1-11(12-5-3-2-4-6-12)20-10-16(19)14-9-13(17)7-8-15(14)18/h2-9,11H,10H2,1H3
InChIKeyWTRDHOGWMNWDRW-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.95
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone

1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone (PubChem CID 62030672) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone
PubChem CID62030672
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone
SMILESCC(OCC(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl2O2/c1-11(12-5-3-2-4-6-12)20-10-16(19)14-9-13(17)7-8-15(14)18/h2-9,11H,10H2,1H3
InChIKeyWTRDHOGWMNWDRW-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone 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

1-(2-fluorophenyl)-2-(1-phenylethoxy)ethanone
CID 62031430
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
2-[2-(2,5-dichlorophenyl)-2-oxoethoxy]acetic acid
CID 61329924
1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone
CID 82006425
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
1-(2,5-dichlorophenyl)-2-(2-fluorophenoxy)ethanone
CID 43412967
1-(2,5-dichlorophenyl)-3-methylpentan-1-one
CID 114874019
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
1-(2,5-dichlorophenyl)-4-methoxy-3-methylbutan-1-one
CID 105095321
methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate
CID 57295323
[2-(2,4-dichlorophenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 1217650
[2-(2,4-dichlorophenyl)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 6552560

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone (CID 62030672) is 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone is CC(OCC(=O)c1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone?
The InChIKey is WTRDHOGWMNWDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-11(12-5-3-2-4-6-12)20-10-16(19)14-9-13(17)7-8-15(14)18/h2-9,11H,10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone?
1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone has a molecular weight of 309.19 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone is sourced from PubChem (CID 62030672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).