7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid

C15H15FO5 — CID 86637436

IUPAC7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid
SMILESCCCc1c(OCCF)ccc2cc(C(=O)O)c(=O)oc12
InChIInChI=1S/C15H15FO5/c1-2-3-10-12(20-7-6-16)5-4-9-8-11(14(17)18)15(19)21-13(9)10/h4-5,8H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyFZLUWFVEERURHM-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.79
Rot. Bonds6

About 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid

7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid (PubChem CID 86637436) has the molecular formula C15H15FO5 and a molecular weight of 294.28 g/mol. Its IUPAC name is 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid
PubChem CID86637436
Molecular FormulaC15H15FO5
Molecular Weight294.28 g/mol
Exact Mass294.09
IUPAC Name7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid
SMILESCCCc1c(OCCF)ccc2cc(C(=O)O)c(=O)oc12
InChIInChI=1S/C15H15FO5/c1-2-3-10-12(20-7-6-16)5-4-9-8-11(14(17)18)15(19)21-13(9)10/h4-5,8H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyFZLUWFVEERURHM-UHFFFAOYSA-N
XLogP2.79
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid?
The IUPAC name of 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid (CID 86637436) is 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid.
What is the SMILES notation for 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid?
The canonical SMILES for 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid is CCCc1c(OCCF)ccc2cc(C(=O)O)c(=O)oc12.
What is the InChIKey of 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid?
The InChIKey is FZLUWFVEERURHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO5/c1-2-3-10-12(20-7-6-16)5-4-9-8-11(14(17)18)15(19)21-13(9)10/h4-5,8H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid?
7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid has a molecular weight of 294.28 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid is sourced from PubChem (CID 86637436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).