methyl 4-ethoxy-2,6-dimethylbenzoate

C12H16O3 — CID 82552476

IUPACmethyl 4-ethoxy-2,6-dimethylbenzoate
SMILESCCOc1cc(C)c(C(=O)OC)c(C)c1
InChIInChI=1S/C12H16O3/c1-5-15-10-6-8(2)11(9(3)7-10)12(13)14-4/h6-7H,5H2,1-4H3
InChIKeyDNBPPIPBUJURMC-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.49
Rot. Bonds3

About methyl 4-ethoxy-2,6-dimethylbenzoate

methyl 4-ethoxy-2,6-dimethylbenzoate (PubChem CID 82552476) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 4-ethoxy-2,6-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 4-ethoxy-2,6-dimethylbenzoate
PubChem CID82552476
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 4-ethoxy-2,6-dimethylbenzoate
SMILESCCOc1cc(C)c(C(=O)OC)c(C)c1
InChIInChI=1S/C12H16O3/c1-5-15-10-6-8(2)11(9(3)7-10)12(13)14-4/h6-7H,5H2,1-4H3
InChIKeyDNBPPIPBUJURMC-UHFFFAOYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-ethoxy-2-fluoro-3-methylbenzoate
CID 164891519
methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
CID 59467126
methyl 4-bromo-2-ethoxy-6-methylbenzoate
CID 133063068
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 2-methyl-4-pentoxy-6-propylbenzoate
CID 143015435
propan-2-yl 2,6-dimethyl-4-propoxybenzoate
CID 82552444
methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate
CID 168944516
methyl 3-amino-5-ethoxybenzoate
CID 45089063
4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
methyl 2-(chloromethyl)-4-methoxy-6-methylbenzoate
CID 171022992
methyl 3-bromo-5-ethoxy-2-hydroxybenzoate
CID 90416815
methyl 2-iodo-4-methoxy-6-methylbenzoate
CID 131351829

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxy-2,6-dimethylbenzoate?
The IUPAC name of methyl 4-ethoxy-2,6-dimethylbenzoate (CID 82552476) is methyl 4-ethoxy-2,6-dimethylbenzoate.
What is the SMILES notation for methyl 4-ethoxy-2,6-dimethylbenzoate?
The canonical SMILES for methyl 4-ethoxy-2,6-dimethylbenzoate is CCOc1cc(C)c(C(=O)OC)c(C)c1.
What is the InChIKey of methyl 4-ethoxy-2,6-dimethylbenzoate?
The InChIKey is DNBPPIPBUJURMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-15-10-6-8(2)11(9(3)7-10)12(13)14-4/h6-7H,5H2,1-4H3.
What are the key properties of methyl 4-ethoxy-2,6-dimethylbenzoate?
methyl 4-ethoxy-2,6-dimethylbenzoate has a molecular weight of 208.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethoxy-2,6-dimethylbenzoate is sourced from PubChem (CID 82552476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).