4,4-diiodo-2,3-dihydrochromene

C9H8I2O — CID 138563808

IUPAC4,4-diiodo-2,3-dihydrochromene
SMILESIC1(I)CCOc2ccccc21
InChIInChI=1S/C9H8I2O/c10-9(11)5-6-12-8-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKeyITQQTUZQRFJBID-UHFFFAOYSA-N
MW385.97 g/mol
LogP3.49
Rot. Bonds

About 4,4-diiodo-2,3-dihydrochromene

4,4-diiodo-2,3-dihydrochromene (PubChem CID 138563808) has the molecular formula C9H8I2O and a molecular weight of 385.97 g/mol. Its IUPAC name is 4,4-diiodo-2,3-dihydrochromene.

Molecular Properties

Compound Name4,4-diiodo-2,3-dihydrochromene
PubChem CID138563808
Molecular FormulaC9H8I2O
Molecular Weight385.97 g/mol
Exact Mass385.87
IUPAC Name4,4-diiodo-2,3-dihydrochromene
SMILESIC1(I)CCOc2ccccc21
InChIInChI=1S/C9H8I2O/c10-9(11)5-6-12-8-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKeyITQQTUZQRFJBID-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.97
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Xanthene
CID 7107
2-Methylanisole
CID 33637
Dihydrobenzofuran
CID 10329
Benzopyran
CID 9211
2-Vinylanisole
CID 61153
Benzyl Phenyl Ether
CID 70352
2,3-Dihydro-2-methylbenzofuran
CID 101130
2H-1-Benzopyran-2-thione
CID 19890
Benzyl p-tolyl ether
CID 70036
Flavan
CID 94156
2H-1-Benzopyran-3-carbonitrile
CID 42438
2-Methoxybenzyl ethyl ether
CID 105179

Frequently Asked Questions

What is the IUPAC name of 4,4-diiodo-2,3-dihydrochromene?
The IUPAC name of 4,4-diiodo-2,3-dihydrochromene (CID 138563808) is 4,4-diiodo-2,3-dihydrochromene.
What is the SMILES notation for 4,4-diiodo-2,3-dihydrochromene?
The canonical SMILES for 4,4-diiodo-2,3-dihydrochromene is IC1(I)CCOc2ccccc21.
What is the InChIKey of 4,4-diiodo-2,3-dihydrochromene?
The InChIKey is ITQQTUZQRFJBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8I2O/c10-9(11)5-6-12-8-4-2-1-3-7(8)9/h1-4H,5-6H2.
What are the key properties of 4,4-diiodo-2,3-dihydrochromene?
4,4-diiodo-2,3-dihydrochromene has a molecular weight of 385.97 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diiodo-2,3-dihydrochromene is sourced from PubChem (CID 138563808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).