[(1R)-1-phenylethyl] 2,2-diphenylacetate

C22H20O2 — CID 11001611

IUPAC[(1R)-1-phenylethyl] 2,2-diphenylacetate
SMILESC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c1-17(18-11-5-2-6-12-18)24-22(23)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3/t17-/m1/s1
InChIKeyNTLHVBZDNBCPSG-QGZVFWFLSA-N
MW316.40 g/mol
LogP5.12
Rot. Bonds5

About [(1R)-1-phenylethyl] 2,2-diphenylacetate

[(1R)-1-phenylethyl] 2,2-diphenylacetate (PubChem CID 11001611) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 2,2-diphenylacetate
PubChem CID11001611
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name[(1R)-1-phenylethyl] 2,2-diphenylacetate
SMILESC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c1-17(18-11-5-2-6-12-18)24-22(23)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3/t17-/m1/s1
InChIKeyNTLHVBZDNBCPSG-QGZVFWFLSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1S)-1-phenylethyl] 2-methyl-3-oxobutanoate
CID 11746142
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
CID 11962000
1-phenylethyl N-carbamoylcarbamate
CID 3027881
[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
1-phenylethyl 3-amino-2-hydroxypropanoate
CID 66164983
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate
CID 141498905
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659
1-phenylethyl benzoate
CID 174857426
1-phenylethyl (2R)-2-amino-3-phenylpropanoate
CID 104902256

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 2,2-diphenylacetate?
The IUPAC name of [(1R)-1-phenylethyl] 2,2-diphenylacetate (CID 11001611) is [(1R)-1-phenylethyl] 2,2-diphenylacetate.
What is the SMILES notation for [(1R)-1-phenylethyl] 2,2-diphenylacetate?
The canonical SMILES for [(1R)-1-phenylethyl] 2,2-diphenylacetate is C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] 2,2-diphenylacetate?
The InChIKey is NTLHVBZDNBCPSG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20O2/c1-17(18-11-5-2-6-12-18)24-22(23)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3/t17-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 2,2-diphenylacetate?
[(1R)-1-phenylethyl] 2,2-diphenylacetate has a molecular weight of 316.40 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 2,2-diphenylacetate is sourced from PubChem (CID 11001611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).