1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone

C16H14BrFO3 — CID 79671185

IUPAC1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H14BrFO3/c1-10(19)12-3-4-15(16(7-12)20-2)21-9-11-5-13(17)8-14(18)6-11/h3-8H,9H2,1-2H3
InChIKeyIRMHOTHELUCXTP-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.38
Rot. Bonds5

About 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone

1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone (PubChem CID 79671185) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
PubChem CID79671185
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H14BrFO3/c1-10(19)12-3-4-15(16(7-12)20-2)21-9-11-5-13(17)8-14(18)6-11/h3-8H,9H2,1-2H3
InChIKeyIRMHOTHELUCXTP-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]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

1-[4-[(5-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 28530286
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099
3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 79706770
[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 79705064
4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
CID 8706948
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 115918445
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 79698175
4-[(3-bromo-5-fluorophenyl)methoxy]-3-fluorobenzenecarbothioamide
CID 107665739
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003210
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956179
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone (CID 79671185) is 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone?
The InChIKey is IRMHOTHELUCXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-10(19)12-3-4-15(16(7-12)20-2)21-9-11-5-13(17)8-14(18)6-11/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone?
1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone has a molecular weight of 353.19 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 79671185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).