propan-2-yl (2R)-2-phenylbutanoate

C13H18O2 — CID 15006686

IUPACpropan-2-yl (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C13H18O2/c1-4-12(13(14)15-10(2)3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3/t12-/m1/s1
InChIKeyCNFICIURFRWLFF-GFCCVEGCSA-N
MW206.28 g/mol
LogP3.13
Rot. Bonds4

About propan-2-yl (2R)-2-phenylbutanoate

propan-2-yl (2R)-2-phenylbutanoate (PubChem CID 15006686) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is propan-2-yl (2R)-2-phenylbutanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-phenylbutanoate
PubChem CID15006686
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namepropan-2-yl (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C13H18O2/c1-4-12(13(14)15-10(2)3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3/t12-/m1/s1
InChIKeyCNFICIURFRWLFF-GFCCVEGCSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpentan-3-yl 2-phenylbutanoate
CID 91691821
ethane;propan-2-yl 2-phenylpentanoate
CID 145424000
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7811318
propan-2-yl 4-hydroxy-2-phenylbutanoate
CID 145423942
propan-2-yl 2-phenylheptanoate
CID 11075819
amino 2-phenylbutanoate
CID 21430295
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenylbutanoate
CID 7811330
aminomethyl 2-phenylbutanoate
CID 175260963
ethyl 2-phenylbutanoate;sulfane
CID 174662373
2-methylbutyl 2-phenylbutanoate
CID 129279414
propan-2-yl 2-[4-(trifluoromethyl)phenyl]butanoate
CID 162537342
propan-2-yl 2-(4-nitrophenyl)butanoate
CID 70365783

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-phenylbutanoate?
The IUPAC name of propan-2-yl (2R)-2-phenylbutanoate (CID 15006686) is propan-2-yl (2R)-2-phenylbutanoate.
What is the SMILES notation for propan-2-yl (2R)-2-phenylbutanoate?
The canonical SMILES for propan-2-yl (2R)-2-phenylbutanoate is CC[C@@H](C(=O)OC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl (2R)-2-phenylbutanoate?
The InChIKey is CNFICIURFRWLFF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-12(13(14)15-10(2)3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-phenylbutanoate?
propan-2-yl (2R)-2-phenylbutanoate has a molecular weight of 206.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-phenylbutanoate is sourced from PubChem (CID 15006686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).