3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one

C16H14F2O2 — CID 64853662

IUPAC3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(F)c(OCCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14F2O2/c1-11-2-7-14(18)16(10-11)20-9-8-15(19)12-3-5-13(17)6-4-12/h2-7,10H,8-9H2,1H3
InChIKeyVOURWXMUQKMXHL-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.93
Rot. Bonds5

About 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one

3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one (PubChem CID 64853662) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
PubChem CID64853662
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(F)c(OCCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14F2O2/c1-11-2-7-14(18)16(10-11)20-9-8-15(19)12-3-5-13(17)6-4-12/h2-7,10H,8-9H2,1H3
InChIKeyVOURWXMUQKMXHL-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 114674148
3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
4-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 60642957
3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793611
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
3-(2-fluoro-5-methylphenoxy)propanimidamide
CID 64853456
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one (CID 64853662) is 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one is Cc1ccc(F)c(OCCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is VOURWXMUQKMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-11-2-7-14(18)16(10-11)20-9-8-15(19)12-3-5-13(17)6-4-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one?
3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 276.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 64853662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).