ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate

C15H22O3 — CID 103434200

IUPACethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H22O3/c1-7-18-14(16)15(4,5)12-9-8-10(2)11(3)13(12)17-6/h8-9H,7H2,1-6H3
InChIKeyVZVPXRLXWCOIAF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.15
Rot. Bonds4

About ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate

ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate (PubChem CID 103434200) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
PubChem CID103434200
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H22O3/c1-7-18-14(16)15(4,5)12-9-8-10(2)11(3)13(12)17-6/h8-9H,7H2,1-6H3
InChIKeyVZVPXRLXWCOIAF-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
CID 105497849
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
1-tert-butyl-2-methoxy-3,4-dimethylbenzene;propane;hydrate
CID 176957976
2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid
CID 103434282
ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate
CID 166132530
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 103433056
ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
CID 5239443
3-(2,3-dimethoxy-4-methylphenyl)-3-hydroxybutanoic acid
CID 12617565
methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
CID 144982422
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol
CID 103465435
ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanoate
CID 107289959
ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
CID 171559871

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate (CID 103434200) is ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1ccc(C)c(C)c1OC.
What is the InChIKey of ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate?
The InChIKey is VZVPXRLXWCOIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-7-18-14(16)15(4,5)12-9-8-10(2)11(3)13(12)17-6/h8-9H,7H2,1-6H3.
What are the key properties of ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate?
ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate has a molecular weight of 250.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate is sourced from PubChem (CID 103434200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).