[(1S)-1-(2-methylphenyl)ethyl] acetate

C11H14O2 — CID 102370508

IUPAC[(1S)-1-(2-methylphenyl)ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1ccccc1C
InChIInChI=1S/C11H14O2/c1-8-6-4-5-7-11(8)9(2)13-10(3)12/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyNOQHVSZXSJFXQW-VIFPVBQESA-N
MW178.23 g/mol
LogP2.62
Rot. Bonds2

About [(1S)-1-(2-methylphenyl)ethyl] acetate

[(1S)-1-(2-methylphenyl)ethyl] acetate (PubChem CID 102370508) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [(1S)-1-(2-methylphenyl)ethyl] acetate.

Molecular Properties

Compound Name[(1S)-1-(2-methylphenyl)ethyl] acetate
PubChem CID102370508
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name[(1S)-1-(2-methylphenyl)ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1ccccc1C
InChIInChI=1S/C11H14O2/c1-8-6-4-5-7-11(8)9(2)13-10(3)12/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyNOQHVSZXSJFXQW-VIFPVBQESA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-methylphenyl)ethyl] acetate?
The IUPAC name of [(1S)-1-(2-methylphenyl)ethyl] acetate (CID 102370508) is [(1S)-1-(2-methylphenyl)ethyl] acetate.
What is the SMILES notation for [(1S)-1-(2-methylphenyl)ethyl] acetate?
The canonical SMILES for [(1S)-1-(2-methylphenyl)ethyl] acetate is CC(=O)O[C@@H](C)c1ccccc1C.
What is the InChIKey of [(1S)-1-(2-methylphenyl)ethyl] acetate?
The InChIKey is NOQHVSZXSJFXQW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14O2/c1-8-6-4-5-7-11(8)9(2)13-10(3)12/h4-7,9H,1-3H3/t9-/m0/s1.
What are the key properties of [(1S)-1-(2-methylphenyl)ethyl] acetate?
[(1S)-1-(2-methylphenyl)ethyl] acetate has a molecular weight of 178.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-methylphenyl)ethyl] acetate is sourced from PubChem (CID 102370508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).