(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one

C14H20O2 — CID 15750969

IUPAC(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
SMILESCC[C@H](C(=O)c1ccccc1)[C@H](O)C(C)C
InChIInChI=1S/C14H20O2/c1-4-12(13(15)10(2)3)14(16)11-8-6-5-7-9-11/h5-10,12-13,15H,4H2,1-3H3/t12-,13+/m0/s1
InChIKeyLWYJDFFBSCVYKS-QWHCGFSZSA-N
MW220.31 g/mol
LogP2.91
Rot. Bonds5

About (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one

(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one (PubChem CID 15750969) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
PubChem CID15750969
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
SMILESCC[C@H](C(=O)c1ccccc1)[C@H](O)C(C)C
InChIInChI=1S/C14H20O2/c1-4-12(13(15)10(2)3)14(16)11-8-6-5-7-9-11/h5-10,12-13,15H,4H2,1-3H3/t12-,13+/m0/s1
InChIKeyLWYJDFFBSCVYKS-QWHCGFSZSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15441495
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione
CID 173016396
2,3,4-trihydroxy-1-phenylhexan-1-one
CID 176900279
(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid
CID 94427029
1-phenyl-2-propan-2-ylpentane-1,3-dione
CID 134940183
(2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one
CID 122219287
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one?
The IUPAC name of (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one (CID 15750969) is (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one.
What is the SMILES notation for (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one?
The canonical SMILES for (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one is CC[C@H](C(=O)c1ccccc1)[C@H](O)C(C)C.
What is the InChIKey of (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one?
The InChIKey is LWYJDFFBSCVYKS-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-12(13(15)10(2)3)14(16)11-8-6-5-7-9-11/h5-10,12-13,15H,4H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one?
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one has a molecular weight of 220.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one is sourced from PubChem (CID 15750969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).