2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone

C16H14BrFO2 — CID 81331658

IUPAC2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)COc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrFO2/c1-2-11-3-5-12(6-4-11)16(19)10-20-15-8-13(17)7-14(18)9-15/h3-9H,2,10H2,1H3
InChIKeyIMUVHNMMXXVWGQ-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.41
Rot. Bonds5

About 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone

2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone (PubChem CID 81331658) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
PubChem CID81331658
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)COc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrFO2/c1-2-11-3-5-12(6-4-11)16(19)10-20-15-8-13(17)7-14(18)9-15/h3-9H,2,10H2,1H3
InChIKeyIMUVHNMMXXVWGQ-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556
1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
CID 81332352
2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 81315368
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 62785613
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
CID 81315367
[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966
4-[2-(3-bromo-5-fluorophenoxy)ethoxy]benzoic acid
CID 81313770
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone (CID 81331658) is 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)COc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone?
The InChIKey is IMUVHNMMXXVWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-2-11-3-5-12(6-4-11)16(19)10-20-15-8-13(17)7-14(18)9-15/h3-9H,2,10H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone?
2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone has a molecular weight of 337.19 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 81331658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).