5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol

C8H7IO3 — CID 18177399

IUPAC5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1ccc2c(c1I)OCCO2
InChIInChI=1S/C8H7IO3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-2,10H,3-4H2
InChIKeyPPALRXVWXYNNPT-UHFFFAOYSA-N
MW278.04 g/mol
LogP1.77
Rot. Bonds

About 5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol

5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 18177399) has the molecular formula C8H7IO3 and a molecular weight of 278.04 g/mol. Its IUPAC name is 5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID18177399
Molecular FormulaC8H7IO3
Molecular Weight278.04 g/mol
Exact Mass277.94
IUPAC Name5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1ccc2c(c1I)OCCO2
InChIInChI=1S/C8H7IO3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-2,10H,3-4H2
InChIKeyPPALRXVWXYNNPT-UHFFFAOYSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.04
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1,4-benzodioxin-6-ol?
The IUPAC name of 5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol (CID 18177399) is 5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol is Oc1ccc2c(c1I)OCCO2.
What is the InChIKey of 5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is PPALRXVWXYNNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-2,10H,3-4H2.
What are the key properties of 5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol?
5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 278.04 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 18177399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).