(6-iodo-1-benzofuran-3-yl)methyl formate

C10H7IO3 — CID 91519885

IUPAC(6-iodo-1-benzofuran-3-yl)methyl formate
SMILESO=COCc1coc2cc(I)ccc12
InChIInChI=1S/C10H7IO3/c11-8-1-2-9-7(4-13-6-12)5-14-10(9)3-8/h1-3,5-6H,4H2
InChIKeyKAAJNVUJELTUBZ-UHFFFAOYSA-N
MW302.07 g/mol
LogP2.71
Rot. Bonds3

About (6-iodo-1-benzofuran-3-yl)methyl formate

(6-iodo-1-benzofuran-3-yl)methyl formate (PubChem CID 91519885) has the molecular formula C10H7IO3 and a molecular weight of 302.07 g/mol. Its IUPAC name is (6-iodo-1-benzofuran-3-yl)methyl formate.

Molecular Properties

Compound Name(6-iodo-1-benzofuran-3-yl)methyl formate
PubChem CID91519885
Molecular FormulaC10H7IO3
Molecular Weight302.07 g/mol
Exact Mass301.94
IUPAC Name(6-iodo-1-benzofuran-3-yl)methyl formate
SMILESO=COCc1coc2cc(I)ccc12
InChIInChI=1S/C10H7IO3/c11-8-1-2-9-7(4-13-6-12)5-14-10(9)3-8/h1-3,5-6H,4H2
InChIKeyKAAJNVUJELTUBZ-UHFFFAOYSA-N
XLogP2.71
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-iodo-1-benzofuran-3-yl)methyl formate 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

(6-fluoro-1-benzofuran-3-yl)methyl formate
CID 91089141
(5,6,7-trichloro-1-benzofuran-3-yl)methyl formate
CID 87852242
6-iodo-1-benzofuran-3-ol
CID 123196484
(4-fluoro-1-benzofuran-3-yl)methyl formate
CID 91150142
6-fluoro-3-(methoxymethyl)-1-benzofuran
CID 117177694
methyl 2-[6-[[4-iodo-2-(1λ3-iodiran-1-yl)phenyl]methoxy]-1-benzofuran-3-yl]acetate
CID 163561626
6-iodo-1-benzofuran-3-carbonitrile
CID 67324697
[4-(2-fluoro-4-iodoanilino)thiophen-3-yl]methyl formate
CID 174578232
2-(5-iodo-1-benzofuran-3-yl)ethylcarbamic acid
CID 70922156
(4-iodophenyl) 2-(5-bromo-1-benzofuran-3-yl)acetate
CID 18860444
[4,5-bis(bromomethyl)-2-(formyloxymethyl)phenyl]methyl formate
CID 58245698
2-(6-iodo-1-benzofuran-3-yl)propanenitrile
CID 67349590

Frequently Asked Questions

What is the IUPAC name of (6-iodo-1-benzofuran-3-yl)methyl formate?
The IUPAC name of (6-iodo-1-benzofuran-3-yl)methyl formate (CID 91519885) is (6-iodo-1-benzofuran-3-yl)methyl formate.
What is the SMILES notation for (6-iodo-1-benzofuran-3-yl)methyl formate?
The canonical SMILES for (6-iodo-1-benzofuran-3-yl)methyl formate is O=COCc1coc2cc(I)ccc12.
What is the InChIKey of (6-iodo-1-benzofuran-3-yl)methyl formate?
The InChIKey is KAAJNVUJELTUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO3/c11-8-1-2-9-7(4-13-6-12)5-14-10(9)3-8/h1-3,5-6H,4H2.
What are the key properties of (6-iodo-1-benzofuran-3-yl)methyl formate?
(6-iodo-1-benzofuran-3-yl)methyl formate has a molecular weight of 302.07 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-iodo-1-benzofuran-3-yl)methyl formate is sourced from PubChem (CID 91519885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).