1-iodo-2-methyl-3,5-diphenylbenzene

C19H15I — CID 167224590

IUPAC1-iodo-2-methyl-3,5-diphenylbenzene
SMILESCc1c(I)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H15I/c1-14-18(16-10-6-3-7-11-16)12-17(13-19(14)20)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyDTRGHQNCNGGUOK-UHFFFAOYSA-N
MW370.23 g/mol
LogP5.93
Rot. Bonds2

About 1-iodo-2-methyl-3,5-diphenylbenzene

1-iodo-2-methyl-3,5-diphenylbenzene (PubChem CID 167224590) has the molecular formula C19H15I and a molecular weight of 370.23 g/mol. Its IUPAC name is 1-iodo-2-methyl-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-iodo-2-methyl-3,5-diphenylbenzene
PubChem CID167224590
Molecular FormulaC19H15I
Molecular Weight370.23 g/mol
Exact Mass370.02
IUPAC Name1-iodo-2-methyl-3,5-diphenylbenzene
SMILESCc1c(I)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H15I/c1-14-18(16-10-6-3-7-11-16)12-17(13-19(14)20)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyDTRGHQNCNGGUOK-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.23
LogP ≤ 55.93
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 1-iodo-2-methyl-3,5-diphenylbenzene?
The IUPAC name of 1-iodo-2-methyl-3,5-diphenylbenzene (CID 167224590) is 1-iodo-2-methyl-3,5-diphenylbenzene.
What is the SMILES notation for 1-iodo-2-methyl-3,5-diphenylbenzene?
The canonical SMILES for 1-iodo-2-methyl-3,5-diphenylbenzene is Cc1c(I)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-iodo-2-methyl-3,5-diphenylbenzene?
The InChIKey is DTRGHQNCNGGUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15I/c1-14-18(16-10-6-3-7-11-16)12-17(13-19(14)20)15-8-4-2-5-9-15/h2-13H,1H3.
What are the key properties of 1-iodo-2-methyl-3,5-diphenylbenzene?
1-iodo-2-methyl-3,5-diphenylbenzene has a molecular weight of 370.23 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methyl-3,5-diphenylbenzene is sourced from PubChem (CID 167224590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).