2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone

C16H15BrO2 — CID 61056257

IUPAC2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H15BrO2/c1-2-19-16-6-4-3-5-14(16)15(18)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChIKeyKTGMGEATVQDVAH-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone

2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone (PubChem CID 61056257) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
PubChem CID61056257
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H15BrO2/c1-2-19-16-6-4-3-5-14(16)15(18)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChIKeyKTGMGEATVQDVAH-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-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
2-ethoxybenzoyl bromide
CID 19426336
2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
CID 113330338
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-(4-bromophenyl)-1-(2-hydroxyphenyl)ethanone
CID 118516182
2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone
CID 116595884
2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533428
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone
CID 82808702
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone (CID 61056257) is 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone?
The InChIKey is KTGMGEATVQDVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-2-19-16-6-4-3-5-14(16)15(18)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone?
2-(4-bromophenyl)-1-(2-ethoxyphenyl)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 2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 61056257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).