ethyl 5-ethenyl-2-methoxybenzoate

C12H14O3 — CID 172649040

IUPACethyl 5-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(OC)c(C(=O)OCC)c1
InChIInChI=1S/C12H14O3/c1-4-9-6-7-11(14-3)10(8-9)12(13)15-5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyCGAAXTGLKJXYPI-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.51
Rot. Bonds4

About ethyl 5-ethenyl-2-methoxybenzoate

ethyl 5-ethenyl-2-methoxybenzoate (PubChem CID 172649040) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 5-ethenyl-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 5-ethenyl-2-methoxybenzoate
PubChem CID172649040
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl 5-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(OC)c(C(=O)OCC)c1
InChIInChI=1S/C12H14O3/c1-4-9-6-7-11(14-3)10(8-9)12(13)15-5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyCGAAXTGLKJXYPI-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-amino-2-methoxybenzoate
CID 22180184
tert-butyl 5-ethenyl-2-methoxybenzoate
CID 155289029
ethyl 2-(2,5-dimethylpyrrol-1-yl)-4-ethenylbenzoate
CID 90154758
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate
CID 22897227
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
ethyl 5-formyl-2-hydroxy-3-methoxybenzoate
CID 76851767
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
CID 21190809
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethenyl-2-methoxybenzoate?
The IUPAC name of ethyl 5-ethenyl-2-methoxybenzoate (CID 172649040) is ethyl 5-ethenyl-2-methoxybenzoate.
What is the SMILES notation for ethyl 5-ethenyl-2-methoxybenzoate?
The canonical SMILES for ethyl 5-ethenyl-2-methoxybenzoate is C=Cc1ccc(OC)c(C(=O)OCC)c1.
What is the InChIKey of ethyl 5-ethenyl-2-methoxybenzoate?
The InChIKey is CGAAXTGLKJXYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-4-9-6-7-11(14-3)10(8-9)12(13)15-5-2/h4,6-8H,1,5H2,2-3H3.
What are the key properties of ethyl 5-ethenyl-2-methoxybenzoate?
ethyl 5-ethenyl-2-methoxybenzoate has a molecular weight of 206.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethenyl-2-methoxybenzoate is sourced from PubChem (CID 172649040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).