[(1S)-1-phenylethyl] 2-phenylacetate

C16H16O2 — CID 70824875

IUPAC[(1S)-1-phenylethyl] 2-phenylacetate
SMILESC[C@H](OC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-13(15-10-6-3-7-11-15)18-16(17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/t13-/m0/s1
InChIKeyRVPFKYFDINHICG-ZDUSSCGKSA-N
MW240.30 g/mol
LogP3.53
Rot. Bonds4

About [(1S)-1-phenylethyl] 2-phenylacetate

[(1S)-1-phenylethyl] 2-phenylacetate (PubChem CID 70824875) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] 2-phenylacetate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] 2-phenylacetate
PubChem CID70824875
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name[(1S)-1-phenylethyl] 2-phenylacetate
SMILESC[C@H](OC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-13(15-10-6-3-7-11-15)18-16(17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/t13-/m0/s1
InChIKeyRVPFKYFDINHICG-ZDUSSCGKSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
1-phenylethyl 2-[4-(2-methylbutan-2-yl)phenyl]acetate
CID 59776169
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-bromoethyl 2-phenylacetate
CID 22386448
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
1-phenylbutan-2-yl 2-phenylacetate
CID 86053968
1-phenylpropyl 2-phenylacetate
CID 59360641
1-(furan-2-yl)ethyl 2-phenylacetate
CID 14353399
ethanol;1-phenylethyl propanoate
CID 175279617
(4-fluoro-3-hydroxybutan-2-yl) 2-phenylacetate
CID 54393447
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] 2-phenylacetate?
The IUPAC name of [(1S)-1-phenylethyl] 2-phenylacetate (CID 70824875) is [(1S)-1-phenylethyl] 2-phenylacetate.
What is the SMILES notation for [(1S)-1-phenylethyl] 2-phenylacetate?
The canonical SMILES for [(1S)-1-phenylethyl] 2-phenylacetate is C[C@H](OC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] 2-phenylacetate?
The InChIKey is RVPFKYFDINHICG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16O2/c1-13(15-10-6-3-7-11-15)18-16(17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/t13-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] 2-phenylacetate?
[(1S)-1-phenylethyl] 2-phenylacetate has a molecular weight of 240.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] 2-phenylacetate is sourced from PubChem (CID 70824875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).