(2,6-dimethoxy-4-methylphenyl) hypoiodite

C9H11IO3 — CID 163998630

IUPAC(2,6-dimethoxy-4-methylphenyl) hypoiodite
SMILESCOc1cc(C)cc(OC)c1OI
InChIInChI=1S/C9H11IO3/c1-6-4-7(11-2)9(13-10)8(5-6)12-3/h4-5H,1-3H3
InChIKeyUGYJBYWDYHFYLT-UHFFFAOYSA-N
MW294.09 g/mol
LogP2.74
Rot. Bonds3

About (2,6-dimethoxy-4-methylphenyl) hypoiodite

(2,6-dimethoxy-4-methylphenyl) hypoiodite (PubChem CID 163998630) has the molecular formula C9H11IO3 and a molecular weight of 294.09 g/mol. Its IUPAC name is (2,6-dimethoxy-4-methylphenyl) hypoiodite.

Molecular Properties

Compound Name(2,6-dimethoxy-4-methylphenyl) hypoiodite
PubChem CID163998630
Molecular FormulaC9H11IO3
Molecular Weight294.09 g/mol
Exact Mass293.98
IUPAC Name(2,6-dimethoxy-4-methylphenyl) hypoiodite
SMILESCOc1cc(C)cc(OC)c1OI
InChIInChI=1S/C9H11IO3/c1-6-4-7(11-2)9(13-10)8(5-6)12-3/h4-5H,1-3H3
InChIKeyUGYJBYWDYHFYLT-UHFFFAOYSA-N
XLogP2.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-dimethoxy-4-methylphenyl) hypoiodite 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

1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
2,3-dimethoxy-5-methylaniline
CID 14263216
1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene
CID 130424971
4-methoxy-6-methyl-1H-indole
CID 24728816
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
2-iodo-6-methoxy-4-methylbenzenethiol
CID 171012224
2-fluoro-1-iodo-3-methoxy-5-methylbenzene
CID 67684213
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470
5-methoxy-7-methylnaphthalen-2-ol
CID 10655221
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
CID 131844912
CID 131844912
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-4-methylphenyl) hypoiodite?
The IUPAC name of (2,6-dimethoxy-4-methylphenyl) hypoiodite (CID 163998630) is (2,6-dimethoxy-4-methylphenyl) hypoiodite.
What is the SMILES notation for (2,6-dimethoxy-4-methylphenyl) hypoiodite?
The canonical SMILES for (2,6-dimethoxy-4-methylphenyl) hypoiodite is COc1cc(C)cc(OC)c1OI.
What is the InChIKey of (2,6-dimethoxy-4-methylphenyl) hypoiodite?
The InChIKey is UGYJBYWDYHFYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO3/c1-6-4-7(11-2)9(13-10)8(5-6)12-3/h4-5H,1-3H3.
What are the key properties of (2,6-dimethoxy-4-methylphenyl) hypoiodite?
(2,6-dimethoxy-4-methylphenyl) hypoiodite has a molecular weight of 294.09 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-4-methylphenyl) hypoiodite is sourced from PubChem (CID 163998630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).