[(2S)-2-phenylpropyl] acetate

C11H14O2 — CID 10261650

IUPAC[(2S)-2-phenylpropyl] acetate
SMILESCC(=O)OC[C@@H](C)c1ccccc1
InChIInChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyRVPTTWAAIKMYAH-SECBINFHSA-N
MW178.23 g/mol
LogP2.35
Rot. Bonds3

About [(2S)-2-phenylpropyl] acetate

[(2S)-2-phenylpropyl] acetate (PubChem CID 10261650) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [(2S)-2-phenylpropyl] acetate.

Molecular Properties

Compound Name[(2S)-2-phenylpropyl] acetate
PubChem CID10261650
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name[(2S)-2-phenylpropyl] acetate
SMILESCC(=O)OC[C@@H](C)c1ccccc1
InChIInChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyRVPTTWAAIKMYAH-SECBINFHSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpropyl 2-methylpropanoate
CID 576240
[(2R)-2-phenylpropyl] carbamate
CID 175384997
[(2R)-2-(4-methylphenyl)propyl] acetate
CID 11008762
[(2R)-2-phenylpropyl] benzoate
CID 101021839
[(3R)-3-phenylbutyl] acetate
CID 12598598
2-phenylpropyl 2-chloro-2-oxoacetate
CID 57296608
[4-[(2S)-1-acetyloxypropan-2-yl]phenyl]methyl acetate
CID 10060659
2-[4-(2-methylpropyl)phenyl]propyl acetate
CID 12905360
methyl 4-[(2S)-1-acetyloxypropan-2-yl]benzoate
CID 10376814
2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
2-thianthren-2-ylpropyl acetate
CID 54000267
2-methylpropyl acetate;toluene
CID 19602176

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenylpropyl] acetate?
The IUPAC name of [(2S)-2-phenylpropyl] acetate (CID 10261650) is [(2S)-2-phenylpropyl] acetate.
What is the SMILES notation for [(2S)-2-phenylpropyl] acetate?
The canonical SMILES for [(2S)-2-phenylpropyl] acetate is CC(=O)OC[C@@H](C)c1ccccc1.
What is the InChIKey of [(2S)-2-phenylpropyl] acetate?
The InChIKey is RVPTTWAAIKMYAH-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of [(2S)-2-phenylpropyl] acetate?
[(2S)-2-phenylpropyl] acetate has a molecular weight of 178.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenylpropyl] acetate is sourced from PubChem (CID 10261650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).