[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate

C11H14O3 — CID 91998811

IUPAC[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
SMILESCC(=O)OC[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C11H14O3/c1-8-3-5-10(6-4-8)11(13)7-14-9(2)12/h3-6,11,13H,7H2,1-2H3/t11-/m0/s1
InChIKeyXKMZSQRSCICNJE-NSHDSACASA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds3

About [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate

[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate (PubChem CID 91998811) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
PubChem CID91998811
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
SMILESCC(=O)OC[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C11H14O3/c1-8-3-5-10(6-4-8)11(13)7-14-9(2)12/h3-6,11,13H,7H2,1-2H3/t11-/m0/s1
InChIKeyXKMZSQRSCICNJE-NSHDSACASA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 70388302
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
[(2R)-2-(4-methylphenyl)propyl] acetate
CID 11008762
[(2R)-2-acetyloxy-2-(4-methylphenyl)ethyl] acetate
CID 135064978
[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
CID 174288850
ethyl acetate;4-methylaniline
CID 159639684
2-methylpropyl acetate;toluene
CID 19602176
methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
CID 15081579
propyl 3-hydroxy-3-(4-methylphenyl)propanoate
CID 73003884
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide
CID 109416412
acetic acid;ethyl acetate;methanol;toluene
CID 19857576

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate?
The IUPAC name of [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate (CID 91998811) is [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate.
What is the SMILES notation for [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate?
The canonical SMILES for [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate is CC(=O)OC[C@H](O)c1ccc(C)cc1.
What is the InChIKey of [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate?
The InChIKey is XKMZSQRSCICNJE-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O3/c1-8-3-5-10(6-4-8)11(13)7-14-9(2)12/h3-6,11,13H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate?
[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate has a molecular weight of 194.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate is sourced from PubChem (CID 91998811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).