1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one

C15H12Cl2O2 — CID 62033281

IUPAC1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1cc(Cl)cc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C15H12Cl2O2/c16-12-7-13(17)9-15(8-12)19-10-14(18)6-11-4-2-1-3-5-11/h1-5,7-9H,6,10H2
InChIKeyVADHCMVDBNKTHS-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.18
Rot. Bonds5

About 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one

1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one (PubChem CID 62033281) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
PubChem CID62033281
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1cc(Cl)cc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C15H12Cl2O2/c16-12-7-13(17)9-15(8-12)19-10-14(18)6-11-4-2-1-3-5-11/h1-5,7-9H,6,10H2
InChIKeyVADHCMVDBNKTHS-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62033460
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62028938
1-chloro-3-(3,5-dichlorophenoxy)propan-2-one
CID 39356766
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one
CID 107709236
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one
CID 62034166
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923
1-(4-nitrophenoxy)-3-phenylpropan-2-one
CID 61031518
1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one
CID 105118221

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one?
The IUPAC name of 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one (CID 62033281) is 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one?
The canonical SMILES for 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one is O=C(COc1cc(Cl)cc(Cl)c1)Cc1ccccc1.
What is the InChIKey of 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one?
The InChIKey is VADHCMVDBNKTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-12-7-13(17)9-15(8-12)19-10-14(18)6-11-4-2-1-3-5-11/h1-5,7-9H,6,10H2.
What are the key properties of 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one?
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one has a molecular weight of 295.17 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one is sourced from PubChem (CID 62033281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).