1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone

C16H15BrO2 — CID 43412397

IUPAC1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)c1ccccc1Br
InChIInChI=1S/C16H15BrO2/c1-2-12-7-3-6-10-16(12)19-11-15(18)13-8-4-5-9-14(13)17/h3-10H,2,11H2,1H3
InChIKeyOMXZWMLLGZIMEA-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.27
Rot. Bonds5

About 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone

1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone (PubChem CID 43412397) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
PubChem CID43412397
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)c1ccccc1Br
InChIInChI=1S/C16H15BrO2/c1-2-12-7-3-6-10-16(12)19-11-15(18)13-8-4-5-9-14(13)17/h3-10H,2,11H2,1H3
InChIKeyOMXZWMLLGZIMEA-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63649687
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
CID 43220079
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone
CID 110656179
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
CID 63654140
1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800571

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone (CID 43412397) is 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone is CCc1ccccc1OCC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone?
The InChIKey is OMXZWMLLGZIMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-2-12-7-3-6-10-16(12)19-11-15(18)13-8-4-5-9-14(13)17/h3-10H,2,11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone?
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone has a molecular weight of 319.20 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone is sourced from PubChem (CID 43412397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).