1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene

C14H8I2 — CID 11316350

IUPAC1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene
SMILESIc1ccccc1C#Cc1ccccc1I
InChIInChI=1S/C14H8I2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H
InChIKeyRTZFCMRXRNRECM-UHFFFAOYSA-N
MW430.03 g/mol
LogP4.30
Rot. Bonds

About 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene

1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene (PubChem CID 11316350) has the molecular formula C14H8I2 and a molecular weight of 430.03 g/mol. Its IUPAC name is 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene
PubChem CID11316350
Molecular FormulaC14H8I2
Molecular Weight430.03 g/mol
Exact Mass429.87
IUPAC Name1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene
SMILESIc1ccccc1C#Cc1ccccc1I
InChIInChI=1S/C14H8I2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H
InChIKeyRTZFCMRXRNRECM-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.03
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 159293297
CID 159293297
copper(1+);1-ethynyl-2-iodobenzene
CID 78062932
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
2-[2-(2-hydroxyphenyl)ethynyl]phenol
CID 10560378
1-ethynyl-2-[2-[2-[2-[2-[2-(2-ethynylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 102413984
2-iodophenol
CID 10784
1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691
(2-iodophenyl)azanium
CID 23277841
CID 174688719
CID 174688719
iodobenzene dichloride
CID 13166207
iodobenzene;methane
CID 161271441
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene?
The IUPAC name of 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene (CID 11316350) is 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene.
What is the SMILES notation for 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene?
The canonical SMILES for 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene is Ic1ccccc1C#Cc1ccccc1I.
What is the InChIKey of 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene?
The InChIKey is RTZFCMRXRNRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8I2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H.
What are the key properties of 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene?
1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene has a molecular weight of 430.03 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene is sourced from PubChem (CID 11316350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).