methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate

C15H22O4 — CID 116927600

IUPACmethyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1c(C)cc(OC)cc1OC
InChIInChI=1S/C15H22O4/c1-10-7-11(17-4)8-13(18-5)12(10)9-15(2,3)14(16)19-6/h7-8H,9H2,1-6H3
InChIKeyASWUPXJJLZMFSV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.75
Rot. Bonds5

About methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate

methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate (PubChem CID 116927600) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
PubChem CID116927600
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1c(C)cc(OC)cc1OC
InChIInChI=1S/C15H22O4/c1-10-7-11(17-4)8-13(18-5)12(10)9-15(2,3)14(16)19-6/h7-8H,9H2,1-6H3
InChIKeyASWUPXJJLZMFSV-UHFFFAOYSA-N
XLogP2.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate 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

4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176
methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43725845
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092
4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916392
1-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]formamide
CID 115172240
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
CID 172824668
(E)-4-[(2,4-dimethoxy-6-methylphenyl)methylamino]but-2-enoic acid
CID 115237156
methyl 3-(2,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116927517

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate (CID 116927600) is methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1c(C)cc(OC)cc1OC.
What is the InChIKey of methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate?
The InChIKey is ASWUPXJJLZMFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10-7-11(17-4)8-13(18-5)12(10)9-15(2,3)14(16)19-6/h7-8H,9H2,1-6H3.
What are the key properties of methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate?
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate has a molecular weight of 266.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 116927600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).