methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate

C13H18O3 — CID 67691350

IUPACmethyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate
SMILESCCc1ccc(CC(=O)OC)c(O)c1CC
InChIInChI=1S/C13H18O3/c1-4-9-6-7-10(8-12(14)16-3)13(15)11(9)5-2/h6-7,15H,4-5,8H2,1-3H3
InChIKeyODANQJMBUDLIOQ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.23
Rot. Bonds4

About methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate

methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate (PubChem CID 67691350) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate
PubChem CID67691350
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namemethyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate
SMILESCCc1ccc(CC(=O)OC)c(O)c1CC
InChIInChI=1S/C13H18O3/c1-4-9-6-7-10(8-12(14)16-3)13(15)11(9)5-2/h6-7,15H,4-5,8H2,1-3H3
InChIKeyODANQJMBUDLIOQ-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3,4-diethyl-2-hydroxyphenyl)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

methyl 2-(4-cyano-3-ethyl-2-hydroxyphenyl)acetate
CID 134613517
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-[3-cyano-2-ethyl-4-(hydroxymethyl)phenyl]acetate
CID 134613771
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 2-(2-cyano-3-ethyl-4-methoxyphenyl)acetate
CID 134614048
ethyl 2-(4-cyano-2-ethyl-3-hydroxyphenyl)acetate
CID 134614494
methyl 2-[4-(chloromethyl)-3-cyano-2-hydroxyphenyl]acetate
CID 131492554
methyl 2-[3-(chloromethyl)-4-cyano-2-ethylphenyl]acetate
CID 134613795
methyl 2-[3-ethyl-2,6-bis(trifluoromethyl)phenyl]acetate
CID 134614131
methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate
CID 54401344
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
methyl 2-[2-(chloromethyl)-3-cyano-4-ethylphenyl]acetate
CID 134614082

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate (CID 67691350) is methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate is CCc1ccc(CC(=O)OC)c(O)c1CC.
What is the InChIKey of methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate?
The InChIKey is ODANQJMBUDLIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-9-6-7-10(8-12(14)16-3)13(15)11(9)5-2/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate?
methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate has a molecular weight of 222.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate is sourced from PubChem (CID 67691350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).