1,2-diiodo-3-propan-2-ylbenzene

C9H10I2 — CID 154662791

IUPAC1,2-diiodo-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(I)c1I
InChIInChI=1S/C9H10I2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6H,1-2H3
InChIKeyFJTSJJIMYHCUBE-UHFFFAOYSA-N
MW371.99 g/mol
LogP4.02
Rot. Bonds1

About 1,2-diiodo-3-propan-2-ylbenzene

1,2-diiodo-3-propan-2-ylbenzene (PubChem CID 154662791) has the molecular formula C9H10I2 and a molecular weight of 371.99 g/mol. Its IUPAC name is 1,2-diiodo-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2-diiodo-3-propan-2-ylbenzene
PubChem CID154662791
Molecular FormulaC9H10I2
Molecular Weight371.99 g/mol
Exact Mass371.89
IUPAC Name1,2-diiodo-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(I)c1I
InChIInChI=1S/C9H10I2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6H,1-2H3
InChIKeyFJTSJJIMYHCUBE-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.99
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene
CID 70457700
1,2,3-triiodobenzene
CID 139071365
2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene
CID 139908776
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
CID 136741886
CID 136741886
(1R)-1-(2-iodophenyl)ethanethiol
CID 87431963
2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
CID 155328338
bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
CID 139074965
2,6-di(propan-2-yl)phenol;silver
CID 174803720
bis[2,6-di(propan-2-yl)phenyl]phosphanide
CID 139171604
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-3-propan-2-ylbenzene?
The IUPAC name of 1,2-diiodo-3-propan-2-ylbenzene (CID 154662791) is 1,2-diiodo-3-propan-2-ylbenzene.
What is the SMILES notation for 1,2-diiodo-3-propan-2-ylbenzene?
The canonical SMILES for 1,2-diiodo-3-propan-2-ylbenzene is CC(C)c1cccc(I)c1I.
What is the InChIKey of 1,2-diiodo-3-propan-2-ylbenzene?
The InChIKey is FJTSJJIMYHCUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10I2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6H,1-2H3.
What are the key properties of 1,2-diiodo-3-propan-2-ylbenzene?
1,2-diiodo-3-propan-2-ylbenzene has a molecular weight of 371.99 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodo-3-propan-2-ylbenzene is sourced from PubChem (CID 154662791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).