(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one

C12H16O2 — CID 129384215

IUPAC(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
SMILESCC[C@@H](C)[C@@H](O)C(=O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3/t9-,11-/m1/s1
InChIKeyJQHODLMBASPPLL-MWLCHTKSSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds4

About (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one

(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one (PubChem CID 129384215) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
PubChem CID129384215
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
SMILESCC[C@@H](C)[C@@H](O)C(=O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3/t9-,11-/m1/s1
InChIKeyJQHODLMBASPPLL-MWLCHTKSSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione
CID 10802844
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
2,3,4-trihydroxy-1-phenylhexan-1-one
CID 176900279
2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
CID 23438778
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
[(Z)-(1-amino-2-hydroxy-3-methylpentylidene)amino] benzoate
CID 21025668
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
3-chloro-2-hydroxy-1-phenylhexan-1-one
CID 21268919

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one?
The IUPAC name of (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one (CID 129384215) is (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one.
What is the SMILES notation for (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one?
The canonical SMILES for (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one is CC[C@@H](C)[C@@H](O)C(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one?
The InChIKey is JQHODLMBASPPLL-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one?
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one is sourced from PubChem (CID 129384215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).