1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one

C17H17ClO2 — CID 43412314

IUPAC1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H17ClO2/c1-11-4-9-16(10-12(11)2)20-13(3)17(19)14-5-7-15(18)8-6-14/h4-10,13H,1-3H3
InChIKeyQSMFDGZGZXGYCL-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.61
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one

1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one (PubChem CID 43412314) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
PubChem CID43412314
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H17ClO2/c1-11-4-9-16(10-12(11)2)20-13(3)17(19)14-5-7-15(18)8-6-14/h4-10,13H,1-3H3
InChIKeyQSMFDGZGZXGYCL-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320
2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43412325
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
1-(3,4-dimethylphenyl)-2-(4-iodophenoxy)propan-1-one
CID 60626864
1-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43413219
2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60625931
2-chloro-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 102724664
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 95356280
1-(4-chlorophenyl)-2-(3-fluorophenoxy)propan-1-one
CID 43413409

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one (CID 43412314) is 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one is Cc1ccc(OC(C)C(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one?
The InChIKey is QSMFDGZGZXGYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-4-9-16(10-12(11)2)20-13(3)17(19)14-5-7-15(18)8-6-14/h4-10,13H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one?
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one has a molecular weight of 288.77 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one is sourced from PubChem (CID 43412314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).