1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone

C15H11Cl2FO2 — CID 78906393

IUPAC1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2FO2/c1-9(19)11-7-10(18)5-6-15(11)20-8-12-13(16)3-2-4-14(12)17/h2-7H,8H2,1H3
InChIKeyCAWJOTSFXYUWFK-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.91
Rot. Bonds4

About 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone

1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone (PubChem CID 78906393) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
PubChem CID78906393
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2FO2/c1-9(19)11-7-10(18)5-6-15(11)20-8-12-13(16)3-2-4-14(12)17/h2-7H,8H2,1H3
InChIKeyCAWJOTSFXYUWFK-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 107306486
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112774627
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 71628485
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 43379989

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone (CID 78906393) is 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone?
The InChIKey is CAWJOTSFXYUWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c1-9(19)11-7-10(18)5-6-15(11)20-8-12-13(16)3-2-4-14(12)17/h2-7H,8H2,1H3.
What are the key properties of 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone?
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone has a molecular weight of 313.16 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone is sourced from PubChem (CID 78906393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).