1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one

C17H17ClO2 — CID 115994681

IUPAC1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C17H17ClO2/c1-4-15(19)14-7-5-6-8-16(14)20-17-11(2)9-13(18)10-12(17)3/h5-10H,4H2,1-3H3
InChIKeyLBYHATJADDNAHG-UHFFFAOYSA-N
MW288.77 g/mol
LogP5.34
Rot. Bonds4

About 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one

1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one (PubChem CID 115994681) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one
PubChem CID115994681
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C17H17ClO2/c1-4-15(19)14-7-5-6-8-16(14)20-17-11(2)9-13(18)10-12(17)3/h5-10H,4H2,1-3H3
InChIKeyLBYHATJADDNAHG-UHFFFAOYSA-N
XLogP5.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.77
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
CID 112677577
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-one
CID 115994733
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-one
CID 115994725
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-amine
CID 115995513
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one
CID 63530895
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)benzoic acid
CID 114888598
1-[2-(2-fluoro-6-nitrophenoxy)phenyl]propan-1-one
CID 104831813

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one (CID 115994681) is 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one is CCC(=O)c1ccccc1Oc1c(C)cc(Cl)cc1C.
What is the InChIKey of 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one?
The InChIKey is LBYHATJADDNAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-4-15(19)14-7-5-6-8-16(14)20-17-11(2)9-13(18)10-12(17)3/h5-10H,4H2,1-3H3.
What are the key properties of 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one?
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one has a molecular weight of 288.77 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one is sourced from PubChem (CID 115994681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).