(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one

C21H18O2 — CID 46221169

IUPAC(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C21H18O2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-20,22H/t19-,20-/m0/s1
InChIKeyXTDNGCBNJJYEGD-PMACEKPBSA-N
MW302.37 g/mol
LogP4.39
Rot. Bonds5

About (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one

(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one (PubChem CID 46221169) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
PubChem CID46221169
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C21H18O2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-20,22H/t19-,20-/m0/s1
InChIKeyXTDNGCBNJJYEGD-PMACEKPBSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-hydroxy-1,3-diphenylpropan-1-one
CID 12060204
(2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one
CID 11360131
2-hydroxy-1,2-diphenylethanone
CID 159399559
1,4-bis(4-fluorophenyl)-2,3-diphenylbutane-1,4-dione
CID 70902431
benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone
CID 87963505
1,4-bis(4-bromophenyl)-2,3-diphenylbutane-1,4-dione
CID 134852094
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
1,2,3-triphenylhexane-1,5-dione
CID 538859
1,2-diphenylethane-1,2-diol
CID 159073808
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
CID 14448660
1,4-bis(4-tert-butylphenyl)-2,3-diphenylbutane-1,4-dione
CID 102447395

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one?
The IUPAC name of (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one (CID 46221169) is (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one.
What is the SMILES notation for (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one?
The canonical SMILES for (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one is O=C(c1ccccc1)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one?
The InChIKey is XTDNGCBNJJYEGD-PMACEKPBSA-N. The full InChI is InChI=1S/C21H18O2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-20,22H/t19-,20-/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one?
(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one has a molecular weight of 302.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one is sourced from PubChem (CID 46221169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).