(2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate

C16H13IO3 — CID 163978219

IUPAC(2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate
SMILESCC(=O)OI=C=C1CCOc2ccc3ccccc3c21
InChIInChI=1S/C16H13IO3/c1-11(18)20-17-10-13-8-9-19-15-7-6-12-4-2-3-5-14(12)16(13)15/h2-7H,8-9H2,1H3
InChIKeySWAOYZKECHMGSU-UHFFFAOYSA-N
MW380.18 g/mol
LogP3.86
Rot. Bonds1

About (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate

(2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate (PubChem CID 163978219) has the molecular formula C16H13IO3 and a molecular weight of 380.18 g/mol. Its IUPAC name is (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate.

Molecular Properties

Compound Name(2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate
PubChem CID163978219
Molecular FormulaC16H13IO3
Molecular Weight380.18 g/mol
Exact Mass379.99
IUPAC Name(2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate
SMILESCC(=O)OI=C=C1CCOc2ccc3ccccc3c21
InChIInChI=1S/C16H13IO3/c1-11(18)20-17-10-13-8-9-19-15-7-6-12-4-2-3-5-14(12)16(13)15/h2-7H,8-9H2,1H3
InChIKeySWAOYZKECHMGSU-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate 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 (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate?
The IUPAC name of (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate (CID 163978219) is (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate.
What is the SMILES notation for (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate?
The canonical SMILES for (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate is CC(=O)OI=C=C1CCOc2ccc3ccccc3c21.
What is the InChIKey of (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate?
The InChIKey is SWAOYZKECHMGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IO3/c1-11(18)20-17-10-13-8-9-19-15-7-6-12-4-2-3-5-14(12)16(13)15/h2-7H,8-9H2,1H3.
What are the key properties of (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate?
(2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate has a molecular weight of 380.18 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydrobenzo[f]chromen-1-ylidenemethylidene-λ3-iodanyl) acetate is sourced from PubChem (CID 163978219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).