2-methoxyethenyl benzoate

C10H10O3 — CID 68559568

IUPAC2-methoxyethenyl benzoate
SMILESCOC=COC(=O)c1ccccc1
InChIInChI=1S/C10H10O3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRAQWQFKJRBABKO-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.96
Rot. Bonds3

About 2-methoxyethenyl benzoate

2-methoxyethenyl benzoate (PubChem CID 68559568) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methoxyethenyl benzoate.

Molecular Properties

Compound Name2-methoxyethenyl benzoate
PubChem CID68559568
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-methoxyethenyl benzoate
SMILESCOC=COC(=O)c1ccccc1
InChIInChI=1S/C10H10O3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRAQWQFKJRBABKO-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.96
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

[(1Z,3Z)-4-methoxybuta-1,3-dienyl] benzoate
CID 102600427
[(Z)-prop-1-enyl] benzoate
CID 11412549
2-(dimethylamino)ethenyl benzoate
CID 129240489
2-methylprop-1-enyl benzoate
CID 10487501
3-chloroprop-1-enyl benzoate
CID 54428210
(2E,4E)-5-benzoyloxypenta-2,4-dienoic acid
CID 12840355
(3-oxo-3-phenylprop-1-enyl) 4-methoxybenzoate
CID 2825584
ethenyl benzoate
CID 158178912
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
CID 69279397
CID 69279397
ethenyl benzoate;2-methylprop-1-ene
CID 174957134

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethenyl benzoate?
The IUPAC name of 2-methoxyethenyl benzoate (CID 68559568) is 2-methoxyethenyl benzoate.
What is the SMILES notation for 2-methoxyethenyl benzoate?
The canonical SMILES for 2-methoxyethenyl benzoate is COC=COC(=O)c1ccccc1.
What is the InChIKey of 2-methoxyethenyl benzoate?
The InChIKey is RAQWQFKJRBABKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methoxyethenyl benzoate?
2-methoxyethenyl benzoate has a molecular weight of 178.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethenyl benzoate is sourced from PubChem (CID 68559568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).