methyl 2-(5-methoxy-2-methylphenyl)acetate

C11H14O3 — CID 170997183

IUPACmethyl 2-(5-methoxy-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)ccc1C
InChIInChI=1S/C11H14O3/c1-8-4-5-10(13-2)6-9(8)7-11(12)14-3/h4-6H,7H2,1-3H3
InChIKeyHJBANRMDFAYHIN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-(5-methoxy-2-methylphenyl)acetate

methyl 2-(5-methoxy-2-methylphenyl)acetate (PubChem CID 170997183) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(5-methoxy-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-2-methylphenyl)acetate
PubChem CID170997183
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 2-(5-methoxy-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)ccc1C
InChIInChI=1S/C11H14O3/c1-8-4-5-10(13-2)6-9(8)7-11(12)14-3/h4-6H,7H2,1-3H3
InChIKeyHJBANRMDFAYHIN-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5-methoxy-2-methylphenyl)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-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
methyl 3-(2-methoxy-2-oxoethyl)-4-methylbenzoate
CID 59212520
methyl 2-(5-tert-butyl-2-methylphenyl)acetate
CID 82127657
methyl 2-(5-hydrazinyl-2-methylphenyl)acetate
CID 130777805
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
CID 154729409
methyl 2-(2-cyano-4-methoxyphenyl)acetate
CID 67407512
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
methyl 2-[5-methoxy-2-(4-methoxy-2-nitrophenyl)phenyl]acetate
CID 164598415
(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
CID 68649923
methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate
CID 154760397

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-2-methylphenyl)acetate?
The IUPAC name of methyl 2-(5-methoxy-2-methylphenyl)acetate (CID 170997183) is methyl 2-(5-methoxy-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(5-methoxy-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(5-methoxy-2-methylphenyl)acetate is COC(=O)Cc1cc(OC)ccc1C.
What is the InChIKey of methyl 2-(5-methoxy-2-methylphenyl)acetate?
The InChIKey is HJBANRMDFAYHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-5-10(13-2)6-9(8)7-11(12)14-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(5-methoxy-2-methylphenyl)acetate?
methyl 2-(5-methoxy-2-methylphenyl)acetate has a molecular weight of 194.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-2-methylphenyl)acetate is sourced from PubChem (CID 170997183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).