(4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite

C11H10INO2S — CID 176667465

IUPAC(4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite
SMILESCOc1cc(C)c2c(ccn2SI)c1C=O
InChIInChI=1S/C11H10INO2S/c1-7-5-10(15-2)9(6-14)8-3-4-13(16-12)11(7)8/h3-6H,1-2H3
InChIKeyHWEYPAPMVCYLTA-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.62
Rot. Bonds3

About (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite

(4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite (PubChem CID 176667465) has the molecular formula C11H10INO2S and a molecular weight of 347.18 g/mol. Its IUPAC name is (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite.

Molecular Properties

Compound Name(4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite
PubChem CID176667465
Molecular FormulaC11H10INO2S
Molecular Weight347.18 g/mol
Exact Mass346.95
IUPAC Name(4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite
SMILESCOc1cc(C)c2c(ccn2SI)c1C=O
InChIInChI=1S/C11H10INO2S/c1-7-5-10(15-2)9(6-14)8-3-4-13(16-12)11(7)8/h3-6H,1-2H3
InChIKeyHWEYPAPMVCYLTA-UHFFFAOYSA-N
XLogP3.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite 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

1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde
CID 158472162
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
5-bromo-7-methyl-1-sulfanylindole-4-carbaldehyde
CID 131995043
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde
CID 164566322
5,7-dimethyl-1-(4-methylphenyl)sulfinylindole-4-carbaldehyde
CID 126733446
(2-formyl-3,5-dimethoxy-6-methylphenyl) acetate
CID 131861598
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495
6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
CID 130941192
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-fluoro-6-methoxy-4-methylbenzaldehyde
CID 74891129

Frequently Asked Questions

What is the IUPAC name of (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite?
The IUPAC name of (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite (CID 176667465) is (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite.
What is the SMILES notation for (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite?
The canonical SMILES for (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite is COc1cc(C)c2c(ccn2SI)c1C=O.
What is the InChIKey of (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite?
The InChIKey is HWEYPAPMVCYLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO2S/c1-7-5-10(15-2)9(6-14)8-3-4-13(16-12)11(7)8/h3-6H,1-2H3.
What are the key properties of (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite?
(4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite has a molecular weight of 347.18 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite is sourced from PubChem (CID 176667465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).