methyl 2-[(E)-2-ethoxyethenyl]benzoate

C12H14O3 — CID 146567603

IUPACmethyl 2-[(E)-2-ethoxyethenyl]benzoate
SMILESCCO/C=C/c1ccccc1C(=O)OC
InChIInChI=1S/C12H14O3/c1-3-15-9-8-10-6-4-5-7-11(10)12(13)14-2/h4-9H,3H2,1-2H3/b9-8+
InChIKeyUROHEZZHYRHQCK-CMDGGOBGSA-N
MW206.24 g/mol
LogP2.48
Rot. Bonds4

About methyl 2-[(E)-2-ethoxyethenyl]benzoate

methyl 2-[(E)-2-ethoxyethenyl]benzoate (PubChem CID 146567603) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-[(E)-2-ethoxyethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(E)-2-ethoxyethenyl]benzoate
PubChem CID146567603
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 2-[(E)-2-ethoxyethenyl]benzoate
SMILESCCO/C=C/c1ccccc1C(=O)OC
InChIInChI=1S/C12H14O3/c1-3-15-9-8-10-6-4-5-7-11(10)12(13)14-2/h4-9H,3H2,1-2H3/b9-8+
InChIKeyUROHEZZHYRHQCK-CMDGGOBGSA-N
XLogP2.48
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 ≤ 52.48
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

methyl 2-[(E)-4-hydroxybut-1-enyl]benzoate
CID 135084302
methyl 2-[(E)-3-oxoprop-1-enyl]benzoate
CID 12656130
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852
methyl 2-[(Z)-4-methoxy-3,4-dioxobut-1-enyl]benzoate
CID 11708584
methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate
CID 156504079
methyl 2-(3-phenoxyprop-1-enyl)benzoate
CID 67414986
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 9026728
methyl 2-[(E)-2-ethoxyethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 178177095
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-bromo-3-(2-methoxyethenyl)benzoate
CID 140927615
methyl 2-ethenylbenzoate;prop-2-enoic acid
CID 175189023

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-2-ethoxyethenyl]benzoate?
The IUPAC name of methyl 2-[(E)-2-ethoxyethenyl]benzoate (CID 146567603) is methyl 2-[(E)-2-ethoxyethenyl]benzoate.
What is the SMILES notation for methyl 2-[(E)-2-ethoxyethenyl]benzoate?
The canonical SMILES for methyl 2-[(E)-2-ethoxyethenyl]benzoate is CCO/C=C/c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(E)-2-ethoxyethenyl]benzoate?
The InChIKey is UROHEZZHYRHQCK-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-15-9-8-10-6-4-5-7-11(10)12(13)14-2/h4-9H,3H2,1-2H3/b9-8+.
What are the key properties of methyl 2-[(E)-2-ethoxyethenyl]benzoate?
methyl 2-[(E)-2-ethoxyethenyl]benzoate has a molecular weight of 206.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-2-ethoxyethenyl]benzoate is sourced from PubChem (CID 146567603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).