sodium 2-prop-2-enoxycarbonylphenolate

C10H9NaO3 — CID 66916174

IUPACsodium 2-prop-2-enoxycarbonylphenolate
SMILESC=CCOC(=O)c1ccccc1[O-].[Na+]
InChIInChI=1S/C10H10O3.Na/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;/h2-6,11H,1,7H2;/q;+1/p-1
InChIKeyIMXKFJWZHUHOKV-UHFFFAOYSA-M
MW200.17 g/mol
LogP-1.89
Rot. Bonds3

About sodium 2-prop-2-enoxycarbonylphenolate

sodium 2-prop-2-enoxycarbonylphenolate (PubChem CID 66916174) has the molecular formula C10H9NaO3 and a molecular weight of 200.17 g/mol. Its IUPAC name is sodium 2-prop-2-enoxycarbonylphenolate.

Molecular Properties

Compound Namesodium 2-prop-2-enoxycarbonylphenolate
PubChem CID66916174
Molecular FormulaC10H9NaO3
Molecular Weight200.17 g/mol
Exact Mass200.04
IUPAC Namesodium 2-prop-2-enoxycarbonylphenolate
SMILESC=CCOC(=O)c1ccccc1[O-].[Na+]
InChIInChI=1S/C10H10O3.Na/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;/h2-6,11H,1,7H2;/q;+1/p-1
InChIKeyIMXKFJWZHUHOKV-UHFFFAOYSA-M
XLogP-1.89
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium 2-prop-2-enoxycarbonylphenolate 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

bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
prop-2-enyl 2-carboxyoxybenzoate
CID 68885826
bis(prop-2-enyl) pyridine-2,3-dicarboxylate
CID 18947519
1-O-pent-4-enyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 12031226
sodium 2-butoxycarbonylphenolate
CID 101317857
prop-2-enyl 2-sulfooxybenzoate
CID 175173068
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
1-O-(2-buta-1,3-dien-2-yloxyethyl) 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 89020444
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
CID 67876110

Frequently Asked Questions

What is the IUPAC name of sodium 2-prop-2-enoxycarbonylphenolate?
The IUPAC name of sodium 2-prop-2-enoxycarbonylphenolate (CID 66916174) is sodium 2-prop-2-enoxycarbonylphenolate.
What is the SMILES notation for sodium 2-prop-2-enoxycarbonylphenolate?
The canonical SMILES for sodium 2-prop-2-enoxycarbonylphenolate is C=CCOC(=O)c1ccccc1[O-].[Na+].
What is the InChIKey of sodium 2-prop-2-enoxycarbonylphenolate?
The InChIKey is IMXKFJWZHUHOKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O3.Na/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;/h2-6,11H,1,7H2;/q;+1/p-1.
What are the key properties of sodium 2-prop-2-enoxycarbonylphenolate?
sodium 2-prop-2-enoxycarbonylphenolate has a molecular weight of 200.17 g/mol, XLogP of -1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-prop-2-enoxycarbonylphenolate is sourced from PubChem (CID 66916174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).