1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone

C16H15BrO3 — CID 62337475

IUPAC1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
SMILESCCOc1cccc(OCC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO3/c1-2-19-14-4-3-5-15(10-14)20-11-16(18)12-6-8-13(17)9-7-12/h3-10H,2,11H2,1H3
InChIKeyHLHHJBIXDCPTIN-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone

1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone (PubChem CID 62337475) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
PubChem CID62337475
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
SMILESCCOc1cccc(OCC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO3/c1-2-19-14-4-3-5-15(10-14)20-11-16(18)12-6-8-13(17)9-7-12/h3-10H,2,11H2,1H3
InChIKeyHLHHJBIXDCPTIN-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
CID 63566036
2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
CID 107285034
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
bromobenzene;3-ethoxybenzoic acid
CID 174626248
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
2-(3-butoxyphenoxy)-1-phenylethanone
CID 15692245
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644940

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone (CID 62337475) is 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone is CCOc1cccc(OCC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone?
The InChIKey is HLHHJBIXDCPTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-2-19-14-4-3-5-15(10-14)20-11-16(18)12-6-8-13(17)9-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone?
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone has a molecular weight of 335.20 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone is sourced from PubChem (CID 62337475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).