[(2R)-2-phenylpropyl] benzoate

C16H16O2 — CID 101021839

IUPAC[(2R)-2-phenylpropyl] benzoate
SMILESC[C@@H](COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-13(14-8-4-2-5-9-14)12-18-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m0/s1
InChIKeyQAJKXZBSXLINCU-ZDUSSCGKSA-N
MW240.30 g/mol
LogP3.65
Rot. Bonds4

About [(2R)-2-phenylpropyl] benzoate

[(2R)-2-phenylpropyl] benzoate (PubChem CID 101021839) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [(2R)-2-phenylpropyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-phenylpropyl] benzoate
PubChem CID101021839
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name[(2R)-2-phenylpropyl] benzoate
SMILESC[C@@H](COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-13(14-8-4-2-5-9-14)12-18-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m0/s1
InChIKeyQAJKXZBSXLINCU-ZDUSSCGKSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpropyl 3,4,5-trihydroxybenzoate
CID 87719767
2-phenylpropyl 2-methylpropanoate
CID 576240
[(2R)-2-phenylpropyl] carbamate
CID 175384997
[(2S)-2-phenylpropyl] acetate
CID 10261650
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
1-benzoyloxypropan-2-yl(trimethyl)azanium
CID 24833435
2-phenylpropyl 2-chloro-2-oxoacetate
CID 57296608
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
(3-fluoro-2-methylpentyl) benzoate
CID 90717890
(3-oxo-2-phenylpropyl) benzoate
CID 57075973

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-phenylpropyl] benzoate?
The IUPAC name of [(2R)-2-phenylpropyl] benzoate (CID 101021839) is [(2R)-2-phenylpropyl] benzoate.
What is the SMILES notation for [(2R)-2-phenylpropyl] benzoate?
The canonical SMILES for [(2R)-2-phenylpropyl] benzoate is C[C@@H](COC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-2-phenylpropyl] benzoate?
The InChIKey is QAJKXZBSXLINCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16O2/c1-13(14-8-4-2-5-9-14)12-18-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m0/s1.
What are the key properties of [(2R)-2-phenylpropyl] benzoate?
[(2R)-2-phenylpropyl] benzoate has a molecular weight of 240.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-phenylpropyl] benzoate is sourced from PubChem (CID 101021839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).