1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone

C16H12BrF3O2 — CID 91864256

IUPAC1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Br)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H12BrF3O2/c1-10(21)14-7-6-13(8-15(14)16(18,19)20)22-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3
InChIKeyWMBCKLJRNQWQKE-UHFFFAOYSA-N
MW373.17 g/mol
LogP5.25
Rot. Bonds4

About 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone

1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 91864256) has the molecular formula C16H12BrF3O2 and a molecular weight of 373.17 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone
PubChem CID91864256
Molecular FormulaC16H12BrF3O2
Molecular Weight373.17 g/mol
Exact Mass372.00
IUPAC Name1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Br)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H12BrF3O2/c1-10(21)14-7-6-13(8-15(14)16(18,19)20)22-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3
InChIKeyWMBCKLJRNQWQKE-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.17
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)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

1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
CID 91863632
1-[4-[(4-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864406
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
1-[4-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647114
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 91863532
ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
CID 144993710
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone (CID 91864256) is 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1ccc(OCc2ccc(Br)cc2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is WMBCKLJRNQWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3O2/c1-10(21)14-7-6-13(8-15(14)16(18,19)20)22-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone?
1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 373.17 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 91864256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).