2-ethoxy-6-iodo-3-propylchromen-4-one

C14H15IO3 — CID 23064267

IUPAC2-ethoxy-6-iodo-3-propylchromen-4-one
SMILESCCCc1c(OCC)oc2ccc(I)cc2c1=O
InChIInChI=1S/C14H15IO3/c1-3-5-10-13(16)11-8-9(15)6-7-12(11)18-14(10)17-4-2/h6-8H,3-5H2,1-2H3
InChIKeyGKVQZPHJTZNANS-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.75
Rot. Bonds4

About 2-ethoxy-6-iodo-3-propylchromen-4-one

2-ethoxy-6-iodo-3-propylchromen-4-one (PubChem CID 23064267) has the molecular formula C14H15IO3 and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-ethoxy-6-iodo-3-propylchromen-4-one.

Molecular Properties

Compound Name2-ethoxy-6-iodo-3-propylchromen-4-one
PubChem CID23064267
Molecular FormulaC14H15IO3
Molecular Weight358.18 g/mol
Exact Mass358.01
IUPAC Name2-ethoxy-6-iodo-3-propylchromen-4-one
SMILESCCCc1c(OCC)oc2ccc(I)cc2c1=O
InChIInChI=1S/C14H15IO3/c1-3-5-10-13(16)11-8-9(15)6-7-12(11)18-14(10)17-4-2/h6-8H,3-5H2,1-2H3
InChIKeyGKVQZPHJTZNANS-UHFFFAOYSA-N
XLogP3.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-6-iodo-3-propylchromen-4-one 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 2-ethoxy-6-iodo-3-propylchromen-4-one?
The IUPAC name of 2-ethoxy-6-iodo-3-propylchromen-4-one (CID 23064267) is 2-ethoxy-6-iodo-3-propylchromen-4-one.
What is the SMILES notation for 2-ethoxy-6-iodo-3-propylchromen-4-one?
The canonical SMILES for 2-ethoxy-6-iodo-3-propylchromen-4-one is CCCc1c(OCC)oc2ccc(I)cc2c1=O.
What is the InChIKey of 2-ethoxy-6-iodo-3-propylchromen-4-one?
The InChIKey is GKVQZPHJTZNANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IO3/c1-3-5-10-13(16)11-8-9(15)6-7-12(11)18-14(10)17-4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-6-iodo-3-propylchromen-4-one?
2-ethoxy-6-iodo-3-propylchromen-4-one has a molecular weight of 358.18 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-iodo-3-propylchromen-4-one is sourced from PubChem (CID 23064267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).