2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one

C16H13BrF2O2 — CID 82809590

IUPAC2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(OCc1ccccc1Br)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H13BrF2O2/c1-10(21-9-11-4-2-3-5-14(11)17)16(20)13-7-6-12(18)8-15(13)19/h2-8,10H,9H2,1H3
InChIKeyZMCZXLCQWWXHPC-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.52
Rot. Bonds5

About 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one

2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one (PubChem CID 82809590) has the molecular formula C16H13BrF2O2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
PubChem CID82809590
Molecular FormulaC16H13BrF2O2
Molecular Weight355.18 g/mol
Exact Mass354.01
IUPAC Name2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(OCc1ccccc1Br)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H13BrF2O2/c1-10(21-9-11-4-2-3-5-14(11)17)16(20)13-7-6-12(18)8-15(13)19/h2-8,10H,9H2,1H3
InChIKeyZMCZXLCQWWXHPC-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986
2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
CID 65125998
1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one
CID 43800781
(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid
CID 104875993
1-(4-bromophenyl)-2-[(2-fluorophenyl)methoxy]propan-1-one
CID 63937365
2-(4-bromo-3-methylphenoxy)-1-(2,4-difluorophenyl)propan-1-one
CID 83136274
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 62828462
1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795408

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one (CID 82809590) is 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one is CC(OCc1ccccc1Br)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one?
The InChIKey is ZMCZXLCQWWXHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2O2/c1-10(21-9-11-4-2-3-5-14(11)17)16(20)13-7-6-12(18)8-15(13)19/h2-8,10H,9H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one?
2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one has a molecular weight of 355.18 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 82809590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).