2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one

C17H16BrClO2 — CID 60626656

IUPAC2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2ccc(Cl)cc2Br)cc1C
InChIInChI=1S/C17H16BrClO2/c1-10-4-5-13(8-11(10)2)17(20)12(3)21-16-7-6-14(19)9-15(16)18/h4-9,12H,1-3H3
InChIKeyPZSBLDAZCPHBBD-UHFFFAOYSA-N
MW367.67 g/mol
LogP5.37
Rot. Bonds4

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

2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one (PubChem CID 60626656) has the molecular formula C17H16BrClO2 and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
PubChem CID60626656
Molecular FormulaC17H16BrClO2
Molecular Weight367.67 g/mol
Exact Mass366.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2ccc(Cl)cc2Br)cc1C
InChIInChI=1S/C17H16BrClO2/c1-10-4-5-13(8-11(10)2)17(20)12(3)21-16-7-6-14(19)9-15(16)18/h4-9,12H,1-3H3
InChIKeyPZSBLDAZCPHBBD-UHFFFAOYSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60625931
2-(2-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626851
2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
2-(4-bromo-3-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 65201081
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320
1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one (CID 60626656) is 2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)Oc2ccc(Cl)cc2Br)cc1C.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
The InChIKey is PZSBLDAZCPHBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO2/c1-10-4-5-13(8-11(10)2)17(20)12(3)21-16-7-6-14(19)9-15(16)18/h4-9,12H,1-3H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one has a molecular weight of 367.67 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 60626656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).