1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one

C16H15ClO2 — CID 13065274

IUPAC1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2/c1-12(18)10-13-4-8-16(9-5-13)19-11-14-2-6-15(17)7-3-14/h2-9H,10-11H2,1H3
InChIKeyFEOKQBYYCNPLSJ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.05
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one

1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one (PubChem CID 13065274) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
PubChem CID13065274
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2/c1-12(18)10-13-4-8-16(9-5-13)19-11-14-2-6-15(17)7-3-14/h2-9H,10-11H2,1H3
InChIKeyFEOKQBYYCNPLSJ-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chlorophenoxy)phenyl]propan-2-one
CID 18000323
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223
ethyl (2S)-2-amino-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate;hydrochloride
CID 70109180
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
1-[4-[(4-chlorophenoxy)methyl]phenoxy]-3-[2-[3-[4-[(4-chlorophenoxy)methyl]phenoxy]-2-oxopropoxy]ethoxy]propan-2-one
CID 57071405
1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one
CID 115495303
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide
CID 134098728

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one (CID 13065274) is 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one is CC(=O)Cc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one?
The InChIKey is FEOKQBYYCNPLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-12(18)10-13-4-8-16(9-5-13)19-11-14-2-6-15(17)7-3-14/h2-9H,10-11H2,1H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one?
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one has a molecular weight of 274.75 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one is sourced from PubChem (CID 13065274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).