5-iodo-2,3-dihydro-1H-inden-4-ol

C9H9IO — CID 23031206

IUPAC5-iodo-2,3-dihydro-1H-inden-4-ol
SMILESOc1c(I)ccc2c1CCC2
InChIInChI=1S/C9H9IO/c10-8-5-4-6-2-1-3-7(6)9(8)11/h4-5,11H,1-3H2
InChIKeyHHWDXBBKRUWTKN-UHFFFAOYSA-N
MW260.07 g/mol
LogP2.49
Rot. Bonds

About 5-iodo-2,3-dihydro-1H-inden-4-ol

5-iodo-2,3-dihydro-1H-inden-4-ol (PubChem CID 23031206) has the molecular formula C9H9IO and a molecular weight of 260.07 g/mol. Its IUPAC name is 5-iodo-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name5-iodo-2,3-dihydro-1H-inden-4-ol
PubChem CID23031206
Molecular FormulaC9H9IO
Molecular Weight260.07 g/mol
Exact Mass259.97
IUPAC Name5-iodo-2,3-dihydro-1H-inden-4-ol
SMILESOc1c(I)ccc2c1CCC2
InChIInChI=1S/C9H9IO/c10-8-5-4-6-2-1-3-7(6)9(8)11/h4-5,11H,1-3H2
InChIKeyHHWDXBBKRUWTKN-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 5-iodo-2,3-dihydro-1H-inden-4-ol (CID 23031206) is 5-iodo-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 5-iodo-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 5-iodo-2,3-dihydro-1H-inden-4-ol is Oc1c(I)ccc2c1CCC2.
What is the InChIKey of 5-iodo-2,3-dihydro-1H-inden-4-ol?
The InChIKey is HHWDXBBKRUWTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO/c10-8-5-4-6-2-1-3-7(6)9(8)11/h4-5,11H,1-3H2.
What are the key properties of 5-iodo-2,3-dihydro-1H-inden-4-ol?
5-iodo-2,3-dihydro-1H-inden-4-ol has a molecular weight of 260.07 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 23031206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).