2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone

C16H14F2O3 — CID 62785423

IUPAC2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)COc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H14F2O3/c1-2-20-14-5-3-11(4-6-14)16(19)10-21-15-8-12(17)7-13(18)9-15/h3-9H,2,10H2,1H3
InChIKeyLXBFWFVXSYUHFO-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.63
Rot. Bonds6

About 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone

2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone (PubChem CID 62785423) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
PubChem CID62785423
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)COc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H14F2O3/c1-2-20-14-5-3-11(4-6-14)16(19)10-21-15-8-12(17)7-13(18)9-15/h3-9H,2,10H2,1H3
InChIKeyLXBFWFVXSYUHFO-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 62785613
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
CID 81331658
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone (CID 62785423) is 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)COc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone?
The InChIKey is LXBFWFVXSYUHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-2-20-14-5-3-11(4-6-14)16(19)10-21-15-8-12(17)7-13(18)9-15/h3-9H,2,10H2,1H3.
What are the key properties of 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone?
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone has a molecular weight of 292.28 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 62785423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).