3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one

C21H16BrFO2 — CID 132850436

IUPAC3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)C(O)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H16BrFO2/c22-18-13-11-17(12-14-18)21(25,16-9-5-2-6-10-16)20(23)19(24)15-7-3-1-4-8-15/h1-14,20,25H
InChIKeyQDLVIWPSGYRHND-UHFFFAOYSA-N
MW399.26 g/mol
LogP4.91
Rot. Bonds5

About 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one

3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one (PubChem CID 132850436) has the molecular formula C21H16BrFO2 and a molecular weight of 399.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one
PubChem CID132850436
Molecular FormulaC21H16BrFO2
Molecular Weight399.26 g/mol
Exact Mass398.03
IUPAC Name3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)C(O)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H16BrFO2/c22-18-13-11-17(12-14-18)21(25,16-9-5-2-6-10-16)20(23)19(24)15-7-3-1-4-8-15/h1-14,20,25H
InChIKeyQDLVIWPSGYRHND-UHFFFAOYSA-N
XLogP4.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromobenzoyl)benzoic acid
CID 256062
2-Hydroxy-1,2,3-triphenyl-1-propanone
CID 285844
5-Hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione
CID 242918
Benzoyldiphenylmethanol
CID 221020
4'-Bromo[1,1'-biphenyl]-2-carboxylic acid
CID 13629283
2-[2-[2-[4-[3-(4-Bromophenyl)propanoyl]phenyl]acetyl]phenyl]benzoic acid
CID 464238
[(3E)-3-[(4-bromophenyl)methylidene]-2-hydroxycyclohexen-1-yl]-phenylmethanone
CID 127049329
[(3E)-3-[(2-bromophenyl)methylidene]-2-hydroxycyclohexen-1-yl]-phenylmethanone
CID 127050582
(E)-4-(3-(4-Bromophenyl)-3-oxoprop-1-en-1-yl)benzoic acid
CID 5807609
2-[(4-Bromophenyl)-hydroxy-methyl]-3-methyl-naphthalene-1,4-dione
CID 54671543
3-((1,1'-Biphenyl)-4-yl)-3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 3054481
1-Propanone, 3-(4-bromophenyl)-2,2-dimethyl-3-hydroxy-1-phenyl-
CID 3059018

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one?
The IUPAC name of 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one (CID 132850436) is 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one is O=C(c1ccccc1)C(F)C(O)(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one?
The InChIKey is QDLVIWPSGYRHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFO2/c22-18-13-11-17(12-14-18)21(25,16-9-5-2-6-10-16)20(23)19(24)15-7-3-1-4-8-15/h1-14,20,25H.
What are the key properties of 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one?
3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one has a molecular weight of 399.26 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one is sourced from PubChem (CID 132850436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).