2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one

C13H11IO3 — CID 101399806

IUPAC2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one
SMILESCC1c2c(c(=O)oc3ccccc23)OC1CI
InChIInChI=1S/C13H11IO3/c1-7-10(6-14)16-12-11(7)8-4-2-3-5-9(8)17-13(12)15/h2-5,7,10H,6H2,1H3
InChIKeyWLGSWIGUOURYMD-UHFFFAOYSA-N
MW342.13 g/mol
LogP3.09
Rot. Bonds1

About 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one

2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one (PubChem CID 101399806) has the molecular formula C13H11IO3 and a molecular weight of 342.13 g/mol. Its IUPAC name is 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one.

Molecular Properties

Compound Name2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one
PubChem CID101399806
Molecular FormulaC13H11IO3
Molecular Weight342.13 g/mol
Exact Mass341.98
IUPAC Name2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one
SMILESCC1c2c(c(=O)oc3ccccc23)OC1CI
InChIInChI=1S/C13H11IO3/c1-7-10(6-14)16-12-11(7)8-4-2-3-5-9(8)17-13(12)15/h2-5,7,10H,6H2,1H3
InChIKeyWLGSWIGUOURYMD-UHFFFAOYSA-N
XLogP3.09
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-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

Related Compounds

[(12S,16R)-9-oxo-8,11-dioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6-tetraen-13-yl]mercury
CID 10323153
8-iodo-7a,8,9,10,11,11a-hexahydro-[1]benzofuro[2,3-c]chromen-6-one
CID 23656866
1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one
CID 12051006
(10Z)-12-methyl-2,20-dioxatetracyclo[11.8.0.04,9.014,19]henicosa-1(13),4,6,8,10,14,16,18-octaen-21-one
CID 101478826
4-hydroxy-3-methylchromen-2-one
CID 54687016
3,4-diethylchromen-2-one
CID 11680028
ethyl 3-(5-methylfuran-2-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71754395
CID 101070743
CID 101070743
4-cyclohexyl-3-methylchromen-2-one
CID 11195874
ethyl (2S,3S)-3-(4-hydroxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544841
methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate
CID 10782063
2-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 141108522

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one?
The IUPAC name of 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one (CID 101399806) is 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one.
What is the SMILES notation for 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one?
The canonical SMILES for 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one is CC1c2c(c(=O)oc3ccccc23)OC1CI.
What is the InChIKey of 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one?
The InChIKey is WLGSWIGUOURYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO3/c1-7-10(6-14)16-12-11(7)8-4-2-3-5-9(8)17-13(12)15/h2-5,7,10H,6H2,1H3.
What are the key properties of 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one?
2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one has a molecular weight of 342.13 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1-methyl-1,2-dihydrofuro[2,3-c]chromen-4-one is sourced from PubChem (CID 101399806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).