methyl 3-(2-methoxyethenyl)benzoate

C11H12O3 — CID 67019210

IUPACmethyl 3-(2-methoxyethenyl)benzoate
SMILESCOC=Cc1cccc(C(=O)OC)c1
InChIInChI=1S/C11H12O3/c1-13-7-6-9-4-3-5-10(8-9)11(12)14-2/h3-8H,1-2H3
InChIKeyJWLLHJGGRZGJHB-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.09
Rot. Bonds3

About methyl 3-(2-methoxyethenyl)benzoate

methyl 3-(2-methoxyethenyl)benzoate (PubChem CID 67019210) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl 3-(2-methoxyethenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethenyl)benzoate
PubChem CID67019210
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl 3-(2-methoxyethenyl)benzoate
SMILESCOC=Cc1cccc(C(=O)OC)c1
InChIInChI=1S/C11H12O3/c1-13-7-6-9-4-3-5-10(8-9)11(12)14-2/h3-8H,1-2H3
InChIKeyJWLLHJGGRZGJHB-UHFFFAOYSA-N
XLogP2.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethenyl)benzoic acid
CID 70467435
methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
CID 155479516
methyl 3-(4-sulfanylbut-1-enyl)benzoate
CID 170478585
methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate
CID 102437216
methyl 3-(4-aminobut-1-enyl)benzoate
CID 170487184
methyl 3-(3-ethoxy-3-oxoprop-1-enyl)benzoate
CID 54092134
methyl 3-[(E)-5-hydroxy-3-oxopent-1-enyl]benzoate
CID 135203906
methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate
CID 155479747
CID 159558349
CID 159558349
CID 70265363
CID 70265363
methyl 3-[(E)-hept-1-enyl]benzoate
CID 11148980
methyl 3-acetylbenzoate
CID 15094405

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethenyl)benzoate?
The IUPAC name of methyl 3-(2-methoxyethenyl)benzoate (CID 67019210) is methyl 3-(2-methoxyethenyl)benzoate.
What is the SMILES notation for methyl 3-(2-methoxyethenyl)benzoate?
The canonical SMILES for methyl 3-(2-methoxyethenyl)benzoate is COC=Cc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(2-methoxyethenyl)benzoate?
The InChIKey is JWLLHJGGRZGJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-7-6-9-4-3-5-10(8-9)11(12)14-2/h3-8H,1-2H3.
What are the key properties of methyl 3-(2-methoxyethenyl)benzoate?
methyl 3-(2-methoxyethenyl)benzoate has a molecular weight of 192.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethenyl)benzoate is sourced from PubChem (CID 67019210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).