ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate

C14H20O3 — CID 105497849

IUPACethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cccc(C)c1OC
InChIInChI=1S/C14H20O3/c1-6-17-13(15)14(3,4)11-9-7-8-10(2)12(11)16-5/h7-9H,6H2,1-5H3
InChIKeyDYGRQZUJTVJDLJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.84
Rot. Bonds4

About ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate

ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate (PubChem CID 105497849) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
PubChem CID105497849
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cccc(C)c1OC
InChIInChI=1S/C14H20O3/c1-6-17-13(15)14(3,4)11-9-7-8-10(2)12(11)16-5/h7-9H,6H2,1-5H3
InChIKeyDYGRQZUJTVJDLJ-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
CID 103434200
ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate
CID 166132530
(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 131076413
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
CID 171559871
ethyl 2-(2-methoxy-3-methylphenyl)-2-oxoacetate
CID 117317826
ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
CID 5239443
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate (CID 105497849) is ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1cccc(C)c1OC.
What is the InChIKey of ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate?
The InChIKey is DYGRQZUJTVJDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-6-17-13(15)14(3,4)11-9-7-8-10(2)12(11)16-5/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate?
ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate has a molecular weight of 236.31 g/mol, XLogP of 2.84, 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-methylphenyl)-2-methylpropanoate is sourced from PubChem (CID 105497849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).