[(1R)-2-methoxy-1-phenylethyl] acetate

C11H14O3 — CID 101055201

IUPAC[(1R)-2-methoxy-1-phenylethyl] acetate
SMILESCOC[C@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-9(12)14-11(8-13-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-/m0/s1
InChIKeyUEOQWTZJUWJVNK-NSHDSACASA-N
MW194.23 g/mol
LogP1.94
Rot. Bonds4

About [(1R)-2-methoxy-1-phenylethyl] acetate

[(1R)-2-methoxy-1-phenylethyl] acetate (PubChem CID 101055201) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [(1R)-2-methoxy-1-phenylethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-methoxy-1-phenylethyl] acetate
PubChem CID101055201
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[(1R)-2-methoxy-1-phenylethyl] acetate
SMILESCOC[C@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-9(12)14-11(8-13-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-/m0/s1
InChIKeyUEOQWTZJUWJVNK-NSHDSACASA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-phenylpentyl] acetate
CID 12651064
[2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate
CID 135063866
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
3-acetyloxy-3-phenylpropanoic acid;1,1'-biphenyl
CID 19790806
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
(2-methoxy-1-phenylethyl) 3-chlorobenzoate
CID 90150998
[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
O-(2-methoxy-1-phenylethyl)hydroxylamine
CID 14103730
[(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate
CID 102032535
[4-(methylamino)-4-oxo-1-phenylbutyl] acetate
CID 71678078
[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate
CID 14059972

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methoxy-1-phenylethyl] acetate?
The IUPAC name of [(1R)-2-methoxy-1-phenylethyl] acetate (CID 101055201) is [(1R)-2-methoxy-1-phenylethyl] acetate.
What is the SMILES notation for [(1R)-2-methoxy-1-phenylethyl] acetate?
The canonical SMILES for [(1R)-2-methoxy-1-phenylethyl] acetate is COC[C@H](OC(C)=O)c1ccccc1.
What is the InChIKey of [(1R)-2-methoxy-1-phenylethyl] acetate?
The InChIKey is UEOQWTZJUWJVNK-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O3/c1-9(12)14-11(8-13-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-/m0/s1.
What are the key properties of [(1R)-2-methoxy-1-phenylethyl] acetate?
[(1R)-2-methoxy-1-phenylethyl] acetate has a molecular weight of 194.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methoxy-1-phenylethyl] acetate is sourced from PubChem (CID 101055201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).