(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one

C16H15FO2 — CID 11414229

IUPAC(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO2/c1-11(15(18)12-5-3-2-4-6-12)16(19)13-7-9-14(17)10-8-13/h2-11,16,19H,1H3/t11-,16+/m0/s1
InChIKeyDTSWIGIPBCODLO-MEDUHNTESA-N
MW258.29 g/mol
LogP3.38
Rot. Bonds4

About (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one

(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one (PubChem CID 11414229) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
PubChem CID11414229
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO2/c1-11(15(18)12-5-3-2-4-6-12)16(19)13-7-9-14(17)10-8-13/h2-11,16,19H,1H3/t11-,16+/m0/s1
InChIKeyDTSWIGIPBCODLO-MEDUHNTESA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
(2S,3S)-2-bromo-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 46868148
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
4-(4-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414690
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methyl-1-phenylbutan-1-one
CID 101153138
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The IUPAC name of (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one (CID 11414229) is (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one is C[C@@H](C(=O)c1ccccc1)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The InChIKey is DTSWIGIPBCODLO-MEDUHNTESA-N. The full InChI is InChI=1S/C16H15FO2/c1-11(15(18)12-5-3-2-4-6-12)16(19)13-7-9-14(17)10-8-13/h2-11,16,19H,1H3/t11-,16+/m0/s1.
What are the key properties of (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one?
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one has a molecular weight of 258.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 11414229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).