1,2-diiodo-2,3-dihydro-1H-indene

C9H8I2 — CID 18913557

IUPAC1,2-diiodo-2,3-dihydro-1H-indene
SMILESIC1Cc2ccccc2C1I
InChIInChI=1S/C9H8I2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5H2
InChIKeyOXOKPKDJEFACAH-UHFFFAOYSA-N
MW369.97 g/mol
LogP3.52
Rot. Bonds

About 1,2-diiodo-2,3-dihydro-1H-indene

1,2-diiodo-2,3-dihydro-1H-indene (PubChem CID 18913557) has the molecular formula C9H8I2 and a molecular weight of 369.97 g/mol. Its IUPAC name is 1,2-diiodo-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1,2-diiodo-2,3-dihydro-1H-indene
PubChem CID18913557
Molecular FormulaC9H8I2
Molecular Weight369.97 g/mol
Exact Mass369.87
IUPAC Name1,2-diiodo-2,3-dihydro-1H-indene
SMILESIC1Cc2ccccc2C1I
InChIInChI=1S/C9H8I2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5H2
InChIKeyOXOKPKDJEFACAH-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.97
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 101064195
(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 101064194
1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 86218961
(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
CID 100942172
N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide
CID 134337122
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
9-iodo-9,10-dihydroanthracene
CID 70258846
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-2,3-dihydro-1H-indene?
The IUPAC name of 1,2-diiodo-2,3-dihydro-1H-indene (CID 18913557) is 1,2-diiodo-2,3-dihydro-1H-indene.
What is the SMILES notation for 1,2-diiodo-2,3-dihydro-1H-indene?
The canonical SMILES for 1,2-diiodo-2,3-dihydro-1H-indene is IC1Cc2ccccc2C1I.
What is the InChIKey of 1,2-diiodo-2,3-dihydro-1H-indene?
The InChIKey is OXOKPKDJEFACAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8I2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5H2.
What are the key properties of 1,2-diiodo-2,3-dihydro-1H-indene?
1,2-diiodo-2,3-dihydro-1H-indene has a molecular weight of 369.97 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodo-2,3-dihydro-1H-indene is sourced from PubChem (CID 18913557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).