[(1R)-1-(4-acetylphenyl)ethyl] acetate

C12H14O3 — CID 71348999

IUPAC[(1R)-1-(4-acetylphenyl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C12H14O3/c1-8(13)11-4-6-12(7-5-11)9(2)15-10(3)14/h4-7,9H,1-3H3/t9-/m1/s1
InChIKeyRHIRURAREZOQLU-SECBINFHSA-N
MW206.24 g/mol
LogP2.51
Rot. Bonds3

About [(1R)-1-(4-acetylphenyl)ethyl] acetate

[(1R)-1-(4-acetylphenyl)ethyl] acetate (PubChem CID 71348999) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(1R)-1-(4-acetylphenyl)ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(4-acetylphenyl)ethyl] acetate
PubChem CID71348999
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[(1R)-1-(4-acetylphenyl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C12H14O3/c1-8(13)11-4-6-12(7-5-11)9(2)15-10(3)14/h4-7,9H,1-3H3/t9-/m1/s1
InChIKeyRHIRURAREZOQLU-SECBINFHSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-acetyloxyethyl)benzoic acid
CID 57306237
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-(3-acetylphenyl)ethyl acetate
CID 155934907
[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
CID 10334074
1-(4-methylsulfonylphenyl)ethyl acetate
CID 174500289
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
[chloro(phenyl)methyl] 4-(1-acetyloxyethyl)benzoate
CID 139687609
1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
CID 14297718

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-acetylphenyl)ethyl] acetate?
The IUPAC name of [(1R)-1-(4-acetylphenyl)ethyl] acetate (CID 71348999) is [(1R)-1-(4-acetylphenyl)ethyl] acetate.
What is the SMILES notation for [(1R)-1-(4-acetylphenyl)ethyl] acetate?
The canonical SMILES for [(1R)-1-(4-acetylphenyl)ethyl] acetate is CC(=O)O[C@H](C)c1ccc(C(C)=O)cc1.
What is the InChIKey of [(1R)-1-(4-acetylphenyl)ethyl] acetate?
The InChIKey is RHIRURAREZOQLU-SECBINFHSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(13)11-4-6-12(7-5-11)9(2)15-10(3)14/h4-7,9H,1-3H3/t9-/m1/s1.
What are the key properties of [(1R)-1-(4-acetylphenyl)ethyl] acetate?
[(1R)-1-(4-acetylphenyl)ethyl] acetate has a molecular weight of 206.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-acetylphenyl)ethyl] acetate is sourced from PubChem (CID 71348999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).