2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one

C15H10Cl4O2 — CID 63565663

IUPAC2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl4O2/c1-8(21-14-7-10(17)3-5-12(14)18)15(20)11-4-2-9(16)6-13(11)19/h2-8H,1H3
InChIKeyAKLXRXZYGBRONW-UHFFFAOYSA-N
MW364.06 g/mol
LogP5.95
Rot. Bonds4

About 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one

2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 63565663) has the molecular formula C15H10Cl4O2 and a molecular weight of 364.06 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID63565663
Molecular FormulaC15H10Cl4O2
Molecular Weight364.06 g/mol
Exact Mass361.94
IUPAC Name2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl4O2/c1-8(21-14-7-10(17)3-5-12(14)18)15(20)11-4-2-9(16)6-13(11)19/h2-8H,1H3
InChIKeyAKLXRXZYGBRONW-UHFFFAOYSA-N
XLogP5.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.06
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567272
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 107285078
2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567423
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
3-[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62030483
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one (CID 63565663) is 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one is CC(Oc1cc(Cl)ccc1Cl)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is AKLXRXZYGBRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4O2/c1-8(21-14-7-10(17)3-5-12(14)18)15(20)11-4-2-9(16)6-13(11)19/h2-8H,1H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 364.06 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 63565663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).