[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate

C14H18O3 — CID 134546197

IUPAC[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
SMILESCC(=O)O[C@](C)(c1ccccc1)[C@H](C)C(C)=O
InChIInChI=1S/C14H18O3/c1-10(11(2)15)14(4,17-12(3)16)13-8-6-5-7-9-13/h5-10H,1-4H3/t10-,14+/m1/s1
InChIKeyRIIOZQRVZADXNF-YGRLFVJLSA-N
MW234.29 g/mol
LogP2.69
Rot. Bonds4

About [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate

[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate (PubChem CID 134546197) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
PubChem CID134546197
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
SMILESCC(=O)O[C@](C)(c1ccccc1)[C@H](C)C(C)=O
InChIInChI=1S/C14H18O3/c1-10(11(2)15)14(4,17-12(3)16)13-8-6-5-7-9-13/h5-10H,1-4H3/t10-,14+/m1/s1
InChIKeyRIIOZQRVZADXNF-YGRLFVJLSA-N
XLogP2.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
tert-butyl acetate;trifluoromethylbenzene
CID 135377327
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
[(1S)-1-cyano-1-phenylethyl] acetate
CID 13433573
4-hydroxy-3-methyl-4-(methylamino)-4-phenylbutan-2-one
CID 174652042
[acetyloxy(diphenyl)methyl]-oxosulfanium
CID 174491893
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955
5-bromo-4-hydroxy-3-methyl-4-phenylpentan-2-one
CID 10460440
(3-fluoro-2-phenylbut-3-en-2-yl) acetate
CID 10910741
[1-(benzenesulfonyloxy)-2-methyl-1-phenylpropyl] acetate
CID 87297204

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate (CID 134546197) is [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate is CC(=O)O[C@](C)(c1ccccc1)[C@H](C)C(C)=O.
What is the InChIKey of [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate?
The InChIKey is RIIOZQRVZADXNF-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(11(2)15)14(4,17-12(3)16)13-8-6-5-7-9-13/h5-10H,1-4H3/t10-,14+/m1/s1.
What are the key properties of [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate?
[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate has a molecular weight of 234.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate is sourced from PubChem (CID 134546197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).