1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene

C10H12I2O2 — CID 11189277

IUPAC1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
SMILESCOc1cc(I)c(I)cc1OC(C)C
InChIInChI=1S/C10H12I2O2/c1-6(2)14-10-5-8(12)7(11)4-9(10)13-3/h4-6H,1-3H3
InChIKeyCSHYJFLNLOOPDU-UHFFFAOYSA-N
MW418.01 g/mol
LogP3.69
Rot. Bonds3

About 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene

1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene (PubChem CID 11189277) has the molecular formula C10H12I2O2 and a molecular weight of 418.01 g/mol. Its IUPAC name is 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
PubChem CID11189277
Molecular FormulaC10H12I2O2
Molecular Weight418.01 g/mol
Exact Mass417.89
IUPAC Name1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
SMILESCOc1cc(I)c(I)cc1OC(C)C
InChIInChI=1S/C10H12I2O2/c1-6(2)14-10-5-8(12)7(11)4-9(10)13-3/h4-6H,1-3H3
InChIKeyCSHYJFLNLOOPDU-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.01
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene 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

4-bromo-2-methoxy-1-propan-2-yloxybenzene
CID 11149245
1-bromo-2-(2-iodoethyl)-5-methoxy-4-propan-2-yloxybenzene
CID 16638804
1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
CID 16637954
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
CID 117386623
1,2,3,4-tetraiodo-5-methoxybenzene
CID 163208160
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
2-(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)acetonitrile
CID 84812805
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene?
The IUPAC name of 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene (CID 11189277) is 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene.
What is the SMILES notation for 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene?
The canonical SMILES for 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene is COc1cc(I)c(I)cc1OC(C)C.
What is the InChIKey of 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene?
The InChIKey is CSHYJFLNLOOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12I2O2/c1-6(2)14-10-5-8(12)7(11)4-9(10)13-3/h4-6H,1-3H3.
What are the key properties of 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene?
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene has a molecular weight of 418.01 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene is sourced from PubChem (CID 11189277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).