[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate

C12H16O5 — CID 174288850

IUPAC[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
SMILESCOc1ccc(C(O)COC(C)=O)cc1OC
InChIInChI=1S/C12H16O5/c1-8(13)17-7-10(14)9-4-5-11(15-2)12(6-9)16-3/h4-6,10,14H,7H2,1-3H3
InChIKeyHOUPKHULRHQSDE-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.30
Rot. Bonds5

About [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate

[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate (PubChem CID 174288850) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
PubChem CID174288850
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
SMILESCOc1ccc(C(O)COC(C)=O)cc1OC
InChIInChI=1S/C12H16O5/c1-8(13)17-7-10(14)9-4-5-11(15-2)12(6-9)16-3/h4-6,10,14H,7H2,1-3H3
InChIKeyHOUPKHULRHQSDE-UHFFFAOYSA-N
XLogP1.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
3-amino-1-(3,4-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629915
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide
CID 162405136

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate (CID 174288850) is [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate is COc1ccc(C(O)COC(C)=O)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate?
The InChIKey is HOUPKHULRHQSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-8(13)17-7-10(14)9-4-5-11(15-2)12(6-9)16-3/h4-6,10,14H,7H2,1-3H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate?
[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate has a molecular weight of 240.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate is sourced from PubChem (CID 174288850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).