methyl 3-ethyl-2-methoxy-5-methylbenzoate

C12H16O3 — CID 20687255

IUPACmethyl 3-ethyl-2-methoxy-5-methylbenzoate
SMILESCCc1cc(C)cc(C(=O)OC)c1OC
InChIInChI=1S/C12H16O3/c1-5-9-6-8(2)7-10(11(9)14-3)12(13)15-4/h6-7H,5H2,1-4H3
InChIKeyGYOBHJQKYCKUHQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.35
Rot. Bonds3

About methyl 3-ethyl-2-methoxy-5-methylbenzoate

methyl 3-ethyl-2-methoxy-5-methylbenzoate (PubChem CID 20687255) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-ethyl-2-methoxy-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-methoxy-5-methylbenzoate
PubChem CID20687255
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 3-ethyl-2-methoxy-5-methylbenzoate
SMILESCCc1cc(C)cc(C(=O)OC)c1OC
InChIInChI=1S/C12H16O3/c1-5-9-6-8(2)7-10(11(9)14-3)12(13)15-4/h6-7H,5H2,1-4H3
InChIKeyGYOBHJQKYCKUHQ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-5-methylphenyl)methyl]-5-methylbenzoate
CID 1211689
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
methyl 4-bromo-5-[(2-bromo-3,4-dimethoxy-5-methoxycarbonylphenyl)methyl]-2,3-dimethoxybenzoate
CID 132564114
2-ethoxy-3-ethyl-N,5-dimethylbenzamide
CID 138534046
(2,6-diethyl-4-methylphenyl) acetate
CID 68505166
trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate
CID 173058524
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
methyl 5-methyl-2-nitro-3-(2-oxobutyl)benzoate
CID 18946766
methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
CID 164678824
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
methyl 3-bromo-2-(ethylamino)-5-methylbenzoate
CID 18802802

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2-methoxy-5-methylbenzoate?
The IUPAC name of methyl 3-ethyl-2-methoxy-5-methylbenzoate (CID 20687255) is methyl 3-ethyl-2-methoxy-5-methylbenzoate.
What is the SMILES notation for methyl 3-ethyl-2-methoxy-5-methylbenzoate?
The canonical SMILES for methyl 3-ethyl-2-methoxy-5-methylbenzoate is CCc1cc(C)cc(C(=O)OC)c1OC.
What is the InChIKey of methyl 3-ethyl-2-methoxy-5-methylbenzoate?
The InChIKey is GYOBHJQKYCKUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-9-6-8(2)7-10(11(9)14-3)12(13)15-4/h6-7H,5H2,1-4H3.
What are the key properties of methyl 3-ethyl-2-methoxy-5-methylbenzoate?
methyl 3-ethyl-2-methoxy-5-methylbenzoate has a molecular weight of 208.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-methoxy-5-methylbenzoate is sourced from PubChem (CID 20687255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).