ethyl 2-ethoxy-3-methoxybenzoate

C12H16O4 — CID 82186199

IUPACethyl 2-ethoxy-3-methoxybenzoate
SMILESCCOC(=O)c1cccc(OC)c1OCC
InChIInChI=1S/C12H16O4/c1-4-15-11-9(12(13)16-5-2)7-6-8-10(11)14-3/h6-8H,4-5H2,1-3H3
InChIKeyRXTWYPIUARNAMG-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.27
Rot. Bonds5

About ethyl 2-ethoxy-3-methoxybenzoate

ethyl 2-ethoxy-3-methoxybenzoate (PubChem CID 82186199) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-methoxybenzoate
PubChem CID82186199
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 2-ethoxy-3-methoxybenzoate
SMILESCCOC(=O)c1cccc(OC)c1OCC
InChIInChI=1S/C12H16O4/c1-4-15-11-9(12(13)16-5-2)7-6-8-10(11)14-3/h6-8H,4-5H2,1-3H3
InChIKeyRXTWYPIUARNAMG-UHFFFAOYSA-N
XLogP2.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
hexyl 2-ethoxy-3-methoxybenzoate
CID 82186457
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
2-bromo-1-(2-ethoxy-3-methoxyphenyl)propan-1-one
CID 134618688
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride
CID 138398636
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
ethyl 2-chlorosulfonyl-3-methoxybenzoate
CID 18434753

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-methoxybenzoate?
The IUPAC name of ethyl 2-ethoxy-3-methoxybenzoate (CID 82186199) is ethyl 2-ethoxy-3-methoxybenzoate.
What is the SMILES notation for ethyl 2-ethoxy-3-methoxybenzoate?
The canonical SMILES for ethyl 2-ethoxy-3-methoxybenzoate is CCOC(=O)c1cccc(OC)c1OCC.
What is the InChIKey of ethyl 2-ethoxy-3-methoxybenzoate?
The InChIKey is RXTWYPIUARNAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-15-11-9(12(13)16-5-2)7-6-8-10(11)14-3/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-3-methoxybenzoate?
ethyl 2-ethoxy-3-methoxybenzoate has a molecular weight of 224.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 82186199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).