(2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one

C15H13IO2 — CID 11360131

IUPAC(2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](I)[C@H](O)c1ccccc1
InChIInChI=1S/C15H13IO2/c16-13(14(17)11-7-3-1-4-8-11)15(18)12-9-5-2-6-10-12/h1-10,13-14,17H/t13-,14-/m1/s1
InChIKeyMQWKHRIGUSLOOO-ZIAGYGMSSA-N
MW352.17 g/mol
LogP3.41
Rot. Bonds4

About (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one

(2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one (PubChem CID 11360131) has the molecular formula C15H13IO2 and a molecular weight of 352.17 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one
PubChem CID11360131
Molecular FormulaC15H13IO2
Molecular Weight352.17 g/mol
Exact Mass352.00
IUPAC Name(2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](I)[C@H](O)c1ccccc1
InChIInChI=1S/C15H13IO2/c16-13(14(17)11-7-3-1-4-8-11)15(18)12-9-5-2-6-10-12/h1-10,13-14,17H/t13-,14-/m1/s1
InChIKeyMQWKHRIGUSLOOO-ZIAGYGMSSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-4-hydroxy-3-iodo-2-oxo-4-phenylbutanoic acid
CID 134992878
(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
CID 46221169
2-chloro-3-hydroxy-1,3-diphenylpropan-1-one
CID 12060204
2-hydroxy-1,2-diphenylethanone
CID 159399559
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
(2R,3S)-2-[(R)-hydroxy(phenyl)methyl]-4-iodo-3-methyl-1-phenylbutan-1-one
CID 102014027
1,2-diphenylethane-1,2-diol
CID 159073808
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
CID 14448660
benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone
CID 87963505
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one?
The IUPAC name of (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one (CID 11360131) is (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one?
The canonical SMILES for (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one is O=C(c1ccccc1)[C@H](I)[C@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one?
The InChIKey is MQWKHRIGUSLOOO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H13IO2/c16-13(14(17)11-7-3-1-4-8-11)15(18)12-9-5-2-6-10-12/h1-10,13-14,17H/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one?
(2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one has a molecular weight of 352.17 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one is sourced from PubChem (CID 11360131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).