1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone

C16H15BrO3 — CID 55399315

IUPAC1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(Br)cc1COc1cccc(C(C)=O)c1
InChIInChI=1S/C16H15BrO3/c1-11(18)12-4-3-5-15(9-12)20-10-13-8-14(17)6-7-16(13)19-2/h3-9H,10H2,1-2H3
InChIKeyWVUWBCBPSUUVFJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.24
Rot. Bonds5

About 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone

1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 55399315) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID55399315
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(Br)cc1COc1cccc(C(C)=O)c1
InChIInChI=1S/C16H15BrO3/c1-11(18)12-4-3-5-15(9-12)20-10-13-8-14(17)6-7-16(13)19-2/h3-9H,10H2,1-2H3
InChIKeyWVUWBCBPSUUVFJ-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide
CID 55864621
3-[(5-acetyl-2-methoxyphenyl)methoxy]benzonitrile
CID 4808187
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
(E)-1-(3-bromophenyl)-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-en-1-one
CID 19550943
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 115918445
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
(E)-3-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-1-(3-methylphenyl)prop-2-en-1-one
CID 19570994
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
1-[4-[(5-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 28530286

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone (CID 55399315) is 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(Br)cc1COc1cccc(C(C)=O)c1.
What is the InChIKey of 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is WVUWBCBPSUUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-11(18)12-4-3-5-15(9-12)20-10-13-8-14(17)6-7-16(13)19-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone?
1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 335.20 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 55399315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).