prop-2-enyl 2-carboxyoxybenzoate

C11H10O5 — CID 68885826

IUPACprop-2-enyl 2-carboxyoxybenzoate
SMILESC=CCOC(=O)c1ccccc1OC(=O)O
InChIInChI=1S/C11H10O5/c1-2-7-15-10(12)8-5-3-4-6-9(8)16-11(13)14/h2-6H,1,7H2,(H,13,14)
InChIKeyCSZBNTJWQVLMJV-UHFFFAOYSA-N
MW222.20 g/mol
LogP2.09
Rot. Bonds4

About prop-2-enyl 2-carboxyoxybenzoate

prop-2-enyl 2-carboxyoxybenzoate (PubChem CID 68885826) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is prop-2-enyl 2-carboxyoxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-carboxyoxybenzoate
PubChem CID68885826
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Nameprop-2-enyl 2-carboxyoxybenzoate
SMILESC=CCOC(=O)c1ccccc1OC(=O)O
InChIInChI=1S/C11H10O5/c1-2-7-15-10(12)8-5-3-4-6-9(8)16-11(13)14/h2-6H,1,7H2,(H,13,14)
InChIKeyCSZBNTJWQVLMJV-UHFFFAOYSA-N
XLogP2.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
prop-2-enyl 2-sulfooxybenzoate
CID 175173068
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
sodium 2-prop-2-enoxycarbonylphenolate
CID 66916174
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
CID 67876110
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
1-O-pent-4-enyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 12031226
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-carboxyoxybenzoate?
The IUPAC name of prop-2-enyl 2-carboxyoxybenzoate (CID 68885826) is prop-2-enyl 2-carboxyoxybenzoate.
What is the SMILES notation for prop-2-enyl 2-carboxyoxybenzoate?
The canonical SMILES for prop-2-enyl 2-carboxyoxybenzoate is C=CCOC(=O)c1ccccc1OC(=O)O.
What is the InChIKey of prop-2-enyl 2-carboxyoxybenzoate?
The InChIKey is CSZBNTJWQVLMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-2-7-15-10(12)8-5-3-4-6-9(8)16-11(13)14/h2-6H,1,7H2,(H,13,14).
What are the key properties of prop-2-enyl 2-carboxyoxybenzoate?
prop-2-enyl 2-carboxyoxybenzoate has a molecular weight of 222.20 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-carboxyoxybenzoate is sourced from PubChem (CID 68885826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).