[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate

C11H14O4 — CID 13275342

IUPAC[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
SMILESCOc1ccc(C(O)COC(C)=O)cc1
InChIInChI=1S/C11H14O4/c1-8(12)15-7-11(13)9-3-5-10(14-2)6-4-9/h3-6,11,13H,7H2,1-2H3
InChIKeyLJHKILQTKUAIHK-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.29
Rot. Bonds4

About [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate

[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate (PubChem CID 13275342) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
PubChem CID13275342
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
SMILESCOc1ccc(C(O)COC(C)=O)cc1
InChIInChI=1S/C11H14O4/c1-8(12)15-7-11(13)9-3-5-10(14-2)6-4-9/h3-6,11,13H,7H2,1-2H3
InChIKeyLJHKILQTKUAIHK-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
[(2S)-3-hydroxy-2-(4-methoxyphenyl)propyl] acetate
CID 15668336
[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
CID 174288850
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate
CID 11323292
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate?
The IUPAC name of [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate (CID 13275342) is [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate.
What is the SMILES notation for [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate?
The canonical SMILES for [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate is COc1ccc(C(O)COC(C)=O)cc1.
What is the InChIKey of [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate?
The InChIKey is LJHKILQTKUAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(12)15-7-11(13)9-3-5-10(14-2)6-4-9/h3-6,11,13H,7H2,1-2H3.
What are the key properties of [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate?
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate has a molecular weight of 210.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate is sourced from PubChem (CID 13275342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).