2-iodo-4-(2-methylphenyl)-1-phenylbenzene

C19H15I — CID 170132192

IUPAC2-iodo-4-(2-methylphenyl)-1-phenylbenzene
SMILESCc1ccccc1-c1ccc(-c2ccccc2)c(I)c1
InChIInChI=1S/C19H15I/c1-14-7-5-6-10-17(14)16-11-12-18(19(20)13-16)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyWDCHIHKSRAJIDR-UHFFFAOYSA-N
MW370.23 g/mol
LogP5.93
Rot. Bonds2

About 2-iodo-4-(2-methylphenyl)-1-phenylbenzene

2-iodo-4-(2-methylphenyl)-1-phenylbenzene (PubChem CID 170132192) has the molecular formula C19H15I and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-iodo-4-(2-methylphenyl)-1-phenylbenzene.

Molecular Properties

Compound Name2-iodo-4-(2-methylphenyl)-1-phenylbenzene
PubChem CID170132192
Molecular FormulaC19H15I
Molecular Weight370.23 g/mol
Exact Mass370.02
IUPAC Name2-iodo-4-(2-methylphenyl)-1-phenylbenzene
SMILESCc1ccccc1-c1ccc(-c2ccccc2)c(I)c1
InChIInChI=1S/C19H15I/c1-14-7-5-6-10-17(14)16-11-12-18(19(20)13-16)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyWDCHIHKSRAJIDR-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 2-iodo-4-(2-methylphenyl)-1-phenylbenzene?
The IUPAC name of 2-iodo-4-(2-methylphenyl)-1-phenylbenzene (CID 170132192) is 2-iodo-4-(2-methylphenyl)-1-phenylbenzene.
What is the SMILES notation for 2-iodo-4-(2-methylphenyl)-1-phenylbenzene?
The canonical SMILES for 2-iodo-4-(2-methylphenyl)-1-phenylbenzene is Cc1ccccc1-c1ccc(-c2ccccc2)c(I)c1.
What is the InChIKey of 2-iodo-4-(2-methylphenyl)-1-phenylbenzene?
The InChIKey is WDCHIHKSRAJIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15I/c1-14-7-5-6-10-17(14)16-11-12-18(19(20)13-16)15-8-3-2-4-9-15/h2-13H,1H3.
What are the key properties of 2-iodo-4-(2-methylphenyl)-1-phenylbenzene?
2-iodo-4-(2-methylphenyl)-1-phenylbenzene 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 2-iodo-4-(2-methylphenyl)-1-phenylbenzene is sourced from PubChem (CID 170132192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).