1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone

C15H12Cl2O2 — CID 62030960

IUPAC1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2O2/c16-12-6-7-14(17)13(8-12)15(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyLWAGWPLTSRZURD-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.39
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone

1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone (PubChem CID 62030960) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
PubChem CID62030960
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2O2/c16-12-6-7-14(17)13(8-12)15(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyLWAGWPLTSRZURD-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
CID 146010495
2-[2-(2,5-dichlorophenyl)-2-oxoethoxy]acetic acid
CID 61329924
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone
CID 82006425
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
CID 146009929
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone
CID 62030672
2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone (CID 62030960) is 1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone is O=C(COCc1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone?
The InChIKey is LWAGWPLTSRZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-12-6-7-14(17)13(8-12)15(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone?
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone has a molecular weight of 295.17 g/mol, XLogP of 4.39, 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-phenylmethoxyethanone is sourced from PubChem (CID 62030960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).