[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate

C20H24O4 — CID 76968517

IUPAC[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
SMILESCC(=O)O[C@@H](C)c1ccccc1.CC(=O)O[C@H](C)c1ccccc1
InChIInChI=1S/2C10H12O2/c2*1-8(12-9(2)11)10-6-4-3-5-7-10/h2*3-8H,1-2H3/t2*8-/m10/s1
InChIKeyUTIVOVYTMAQSOY-RMTNWKGQSA-N
MW328.41 g/mol
LogP4.62
Rot. Bonds4

About [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate

[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate (PubChem CID 76968517) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
PubChem CID76968517
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
SMILESCC(=O)O[C@@H](C)c1ccccc1.CC(=O)O[C@H](C)c1ccccc1
InChIInChI=1S/2C10H12O2/c2*1-8(12-9(2)11)10-6-4-3-5-7-10/h2*3-8H,1-2H3/t2*8-/m10/s1
InChIKeyUTIVOVYTMAQSOY-RMTNWKGQSA-N
XLogP4.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874
4-(1-acetyloxyethyl)benzoic acid
CID 57306237
ethyl 3-oxobutanoate;1-phenylethyl acetate
CID 159161470
[chloro(phenyl)methyl] 4-(1-acetyloxyethyl)benzoate
CID 139687609
[(1S)-1-phenylethyl] 2-methyl-3-oxobutanoate
CID 11746142
1-(4-fluorophenyl)ethyl acetate
CID 11286838
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
1-phenylethyl benzoate
CID 174857426
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate?
The IUPAC name of [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate (CID 76968517) is [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate.
What is the SMILES notation for [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate?
The canonical SMILES for [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate is CC(=O)O[C@@H](C)c1ccccc1.CC(=O)O[C@H](C)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate?
The InChIKey is UTIVOVYTMAQSOY-RMTNWKGQSA-N. The full InChI is InChI=1S/2C10H12O2/c2*1-8(12-9(2)11)10-6-4-3-5-7-10/h2*3-8H,1-2H3/t2*8-/m10/s1.
What are the key properties of [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate?
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate has a molecular weight of 328.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate is sourced from PubChem (CID 76968517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).