2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone

C17H17BrO3 — CID 82808702

IUPAC2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)COCc1cccc(Br)c1
InChIInChI=1S/C17H17BrO3/c1-2-21-17-9-4-3-8-15(17)16(19)12-20-11-13-6-5-7-14(18)10-13/h3-10H,2,11-12H2,1H3
InChIKeyYACNBODSJPQRQR-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.25
Rot. Bonds7

About 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone

2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone (PubChem CID 82808702) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone
PubChem CID82808702
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)COCc1cccc(Br)c1
InChIInChI=1S/C17H17BrO3/c1-2-21-17-9-4-3-8-15(17)16(19)12-20-11-13-6-5-7-14(18)10-13/h3-10H,2,11-12H2,1H3
InChIKeyYACNBODSJPQRQR-UHFFFAOYSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 82809087
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158
(2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate
CID 70435197
2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
phenacyl 2-[(3-bromophenyl)methoxy]benzoate
CID 18274703
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
ethyl 4-[2-[(3-bromophenyl)methoxy]benzoyl]piperazine-1-carboxylate
CID 30687965

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone (CID 82808702) is 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)COCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone?
The InChIKey is YACNBODSJPQRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-2-21-17-9-4-3-8-15(17)16(19)12-20-11-13-6-5-7-14(18)10-13/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone?
2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone has a molecular weight of 349.22 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 82808702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).