[(1S)-1-phenylmethoxyethyl] acetate

C11H14O3 — CID 10965388

IUPAC[(1S)-1-phenylmethoxyethyl] acetate
SMILESCC(=O)OC(C)OCc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(12)14-10(2)13-8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3
InChIKeyJPHVHETZQRPNLG-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.11
Rot. Bonds4

About [(1S)-1-phenylmethoxyethyl] acetate

[(1S)-1-phenylmethoxyethyl] acetate (PubChem CID 10965388) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [(1S)-1-phenylmethoxyethyl] acetate.

Molecular Properties

Compound Name[(1S)-1-phenylmethoxyethyl] acetate
PubChem CID10965388
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[(1S)-1-phenylmethoxyethyl] acetate
SMILESCC(=O)OC(C)OCc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(12)14-10(2)13-8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3
InChIKeyJPHVHETZQRPNLG-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenylmethoxyethyl benzoate
CID 147024135
(2-amino-2-oxo-1-phenylmethoxyethyl) acetate
CID 154369518
methyl (2S)-2-acetyloxy-2-phenylmethoxyacetate
CID 101037708
[(2S,3S)-3,4-diacetyloxy-2-phenylmethoxybutyl] acetate
CID 10806920
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
[(2R)-1-nitropropan-2-yl] acetate;[(2R)-1-nitropropan-2-yl]oxymethylbenzene
CID 158058432
methane;[(2R)-1-nitropropan-2-yl] acetate;[(2R)-1-nitropropan-2-yl]oxymethylbenzene
CID 163761543
(1-methoxy-2-phenylmethoxy-3-propan-2-yloxypropyl) acetate
CID 19748418
[(2R,4S)-5-acetyloxy-2,4-dimethyl-3-phenylmethoxypentyl] acetate
CID 10853279
benzyl acetate;carbamic acid
CID 159542161

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylmethoxyethyl] acetate?
The IUPAC name of [(1S)-1-phenylmethoxyethyl] acetate (CID 10965388) is [(1S)-1-phenylmethoxyethyl] acetate.
What is the SMILES notation for [(1S)-1-phenylmethoxyethyl] acetate?
The canonical SMILES for [(1S)-1-phenylmethoxyethyl] acetate is CC(=O)OC(C)OCc1ccccc1.
What is the InChIKey of [(1S)-1-phenylmethoxyethyl] acetate?
The InChIKey is JPHVHETZQRPNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-9(12)14-10(2)13-8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3.
What are the key properties of [(1S)-1-phenylmethoxyethyl] acetate?
[(1S)-1-phenylmethoxyethyl] acetate has a molecular weight of 194.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylmethoxyethyl] acetate is sourced from PubChem (CID 10965388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).