methyl 2-ethenyl-5-ethoxybenzoate

C12H14O3 — CID 45094065

IUPACmethyl 2-ethenyl-5-ethoxybenzoate
SMILESC=Cc1ccc(OCC)cc1C(=O)OC
InChIInChI=1S/C12H14O3/c1-4-9-6-7-10(15-5-2)8-11(9)12(13)14-3/h4,6-8H,1,5H2,2-3H3
InChIKeyBWDCYHJKFBHRIC-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.51
Rot. Bonds4

About methyl 2-ethenyl-5-ethoxybenzoate

methyl 2-ethenyl-5-ethoxybenzoate (PubChem CID 45094065) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-ethenyl-5-ethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-ethenyl-5-ethoxybenzoate
PubChem CID45094065
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 2-ethenyl-5-ethoxybenzoate
SMILESC=Cc1ccc(OCC)cc1C(=O)OC
InChIInChI=1S/C12H14O3/c1-4-9-6-7-10(15-5-2)8-11(9)12(13)14-3/h4,6-8H,1,5H2,2-3H3
InChIKeyBWDCYHJKFBHRIC-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

Analyze methyl 2-ethenyl-5-ethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(ethenyl)-4-ethoxybenzene
CID 142802318
methyl 2-(bromomethyl)-5-ethoxybenzoate
CID 86723822
methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate
CID 58566599
methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate
CID 119054863
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
methyl 2-formyl-5-[3-(3-formyl-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 171810891
methyl 3-ethoxybenzoate
CID 3267781
1-(2-bromo-4-ethoxyphenyl)prop-2-en-1-one
CID 103522548
methyl 3-bromo-5-ethoxy-2-hydroxybenzoate
CID 90416815
dimethyl 4-(2-oxoethoxy)benzene-1,2-dicarboxylate
CID 54350444
methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate
CID 164915529
methyl 5-ethoxy-2-fluoro-3-methylbenzoate
CID 164891519

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-5-ethoxybenzoate?
The IUPAC name of methyl 2-ethenyl-5-ethoxybenzoate (CID 45094065) is methyl 2-ethenyl-5-ethoxybenzoate.
What is the SMILES notation for methyl 2-ethenyl-5-ethoxybenzoate?
The canonical SMILES for methyl 2-ethenyl-5-ethoxybenzoate is C=Cc1ccc(OCC)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-5-ethoxybenzoate?
The InChIKey is BWDCYHJKFBHRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-4-9-6-7-10(15-5-2)8-11(9)12(13)14-3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of methyl 2-ethenyl-5-ethoxybenzoate?
methyl 2-ethenyl-5-ethoxybenzoate 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 methyl 2-ethenyl-5-ethoxybenzoate is sourced from PubChem (CID 45094065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).