1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one

C16H14F2O2 — CID 64854059

IUPAC1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one
SMILESCc1ccc(F)c(OCC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C16H14F2O2/c1-11-6-7-15(18)16(8-11)20-10-13(19)9-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3
InChIKeyOZXDBUZTKMHTQN-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one

1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one (PubChem CID 64854059) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one
PubChem CID64854059
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one
SMILESCc1ccc(F)c(OCC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C16H14F2O2/c1-11-6-7-15(18)16(8-11)20-10-13(19)9-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3
InChIKeyOZXDBUZTKMHTQN-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62030082
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
4-(2-fluoro-5-methylphenoxy)-3-methylbut-2-enoic acid
CID 77053772
1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62034523
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
N-(2-cyanophenyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854041
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067314
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one (CID 64854059) is 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one is Cc1ccc(F)c(OCC(=O)Cc2ccccc2F)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one?
The InChIKey is OZXDBUZTKMHTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-11-6-7-15(18)16(8-11)20-10-13(19)9-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one?
1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one has a molecular weight of 276.28 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 64854059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).