2-iodo-1,3-bis(3-methylphenyl)benzene

C20H17I — CID 170072024

IUPAC2-iodo-1,3-bis(3-methylphenyl)benzene
SMILESCc1cccc(-c2cccc(-c3cccc(C)c3)c2I)c1
InChIInChI=1S/C20H17I/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21)17-9-4-7-15(2)13-17/h3-13H,1-2H3
InChIKeyQZMWOCDZZHSEMS-UHFFFAOYSA-N
MW384.26 g/mol
LogP6.24
Rot. Bonds2

About 2-iodo-1,3-bis(3-methylphenyl)benzene

2-iodo-1,3-bis(3-methylphenyl)benzene (PubChem CID 170072024) has the molecular formula C20H17I and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-iodo-1,3-bis(3-methylphenyl)benzene.

Molecular Properties

Compound Name2-iodo-1,3-bis(3-methylphenyl)benzene
PubChem CID170072024
Molecular FormulaC20H17I
Molecular Weight384.26 g/mol
Exact Mass384.04
IUPAC Name2-iodo-1,3-bis(3-methylphenyl)benzene
SMILESCc1cccc(-c2cccc(-c3cccc(C)c3)c2I)c1
InChIInChI=1S/C20H17I/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21)17-9-4-7-15(2)13-17/h3-13H,1-2H3
InChIKeyQZMWOCDZZHSEMS-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.26
LogP ≤ 56.24
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 2-iodo-1,3-bis(3-methylphenyl)benzene?
The IUPAC name of 2-iodo-1,3-bis(3-methylphenyl)benzene (CID 170072024) is 2-iodo-1,3-bis(3-methylphenyl)benzene.
What is the SMILES notation for 2-iodo-1,3-bis(3-methylphenyl)benzene?
The canonical SMILES for 2-iodo-1,3-bis(3-methylphenyl)benzene is Cc1cccc(-c2cccc(-c3cccc(C)c3)c2I)c1.
What is the InChIKey of 2-iodo-1,3-bis(3-methylphenyl)benzene?
The InChIKey is QZMWOCDZZHSEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17I/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21)17-9-4-7-15(2)13-17/h3-13H,1-2H3.
What are the key properties of 2-iodo-1,3-bis(3-methylphenyl)benzene?
2-iodo-1,3-bis(3-methylphenyl)benzene has a molecular weight of 384.26 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3-bis(3-methylphenyl)benzene is sourced from PubChem (CID 170072024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).