1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone

C16H15ClO2 — CID 43369973

IUPAC1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C16H15ClO2/c1-10-8-13(9-11(2)16(10)17)19-15-7-5-4-6-14(15)12(3)18/h4-9H,1-3H3
InChIKeyPBTDLOPBVYHUSY-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.95
Rot. Bonds3

About 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone

1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone (PubChem CID 43369973) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone
PubChem CID43369973
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C16H15ClO2/c1-10-8-13(9-11(2)16(10)17)19-15-7-5-4-6-14(15)12(3)18/h4-9H,1-3H3
InChIKeyPBTDLOPBVYHUSY-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dichlorophenoxy)phenyl]ethanone
CID 60699063
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
1-[2-(2,4-dimethylphenoxy)phenyl]ethanone
CID 14797515
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol
CID 43510297
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284751
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone
CID 107724723
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43283843

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone (CID 43369973) is 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone is CC(=O)c1ccccc1Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone?
The InChIKey is PBTDLOPBVYHUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-8-13(9-11(2)16(10)17)19-15-7-5-4-6-14(15)12(3)18/h4-9H,1-3H3.
What are the key properties of 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone?
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone has a molecular weight of 274.75 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone is sourced from PubChem (CID 43369973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).