1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone

C15H12Cl2O2 — CID 55031191

IUPAC1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c16-13-7-6-12(8-14(13)17)15(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyYDEJUTBSDRHRFH-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.39
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone

1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone (PubChem CID 55031191) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
PubChem CID55031191
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c16-13-7-6-12(8-14(13)17)15(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyYDEJUTBSDRHRFH-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

1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
1-phenyl-2-(pyridin-4-ylmethoxy)ethanone
CID 23312308
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone
CID 146009381
2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone
CID 66322656
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone
CID 62030962

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone (CID 55031191) is 1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone is O=C(COCc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone?
The InChIKey is YDEJUTBSDRHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-13-7-6-12(8-14(13)17)15(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone?
1-(3,4-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-(3,4-dichlorophenyl)-2-phenylmethoxyethanone is sourced from PubChem (CID 55031191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).