2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one

C17H16Cl2O2 — CID 60625931

IUPAC2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H16Cl2O2/c1-10-4-5-13(8-11(10)2)17(20)12(3)21-16-7-6-14(18)9-15(16)19/h4-9,12H,1-3H3
InChIKeyIOSLPVSIGYKNJG-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.26
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one

2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one (PubChem CID 60625931) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
PubChem CID60625931
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H16Cl2O2/c1-10-4-5-13(8-11(10)2)17(20)12(3)21-16-7-6-14(18)9-15(16)19/h4-9,12H,1-3H3
InChIKeyIOSLPVSIGYKNJG-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626656
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
3-chloro-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzaldehyde
CID 62033107
2-(2-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626851
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one (CID 60625931) is 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
The InChIKey is IOSLPVSIGYKNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-10-4-5-13(8-11(10)2)17(20)12(3)21-16-7-6-14(18)9-15(16)19/h4-9,12H,1-3H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one has a molecular weight of 323.22 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 60625931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).