7-iodo-1,2-dihydronaphthalene

C10H9I — CID 70927780

IUPAC7-iodo-1,2-dihydronaphthalene
SMILESIc1ccc2c(c1)CCC=C2
InChIInChI=1S/C10H9I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1,3,5-7H,2,4H2
InChIKeyAIHBWBJPRUHAAP-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.25
Rot. Bonds

About 7-iodo-1,2-dihydronaphthalene

7-iodo-1,2-dihydronaphthalene (PubChem CID 70927780) has the molecular formula C10H9I and a molecular weight of 256.09 g/mol. Its IUPAC name is 7-iodo-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-iodo-1,2-dihydronaphthalene
PubChem CID70927780
Molecular FormulaC10H9I
Molecular Weight256.09 g/mol
Exact Mass255.97
IUPAC Name7-iodo-1,2-dihydronaphthalene
SMILESIc1ccc2c(c1)CCC=C2
InChIInChI=1S/C10H9I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1,3,5-7H,2,4H2
InChIKeyAIHBWBJPRUHAAP-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-1,2-dihydronaphthalene?
The IUPAC name of 7-iodo-1,2-dihydronaphthalene (CID 70927780) is 7-iodo-1,2-dihydronaphthalene.
What is the SMILES notation for 7-iodo-1,2-dihydronaphthalene?
The canonical SMILES for 7-iodo-1,2-dihydronaphthalene is Ic1ccc2c(c1)CCC=C2.
What is the InChIKey of 7-iodo-1,2-dihydronaphthalene?
The InChIKey is AIHBWBJPRUHAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1,3,5-7H,2,4H2.
What are the key properties of 7-iodo-1,2-dihydronaphthalene?
7-iodo-1,2-dihydronaphthalene has a molecular weight of 256.09 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1,2-dihydronaphthalene is sourced from PubChem (CID 70927780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).