1-iodo-4-(2-phenylcyclobuten-1-yl)benzene

C16H13I — CID 10616539

IUPAC1-iodo-4-(2-phenylcyclobuten-1-yl)benzene
SMILESIc1ccc(C2=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H13I/c17-14-8-6-13(7-9-14)16-11-10-15(16)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeySJKFSJOLAVDRCO-UHFFFAOYSA-N
MW332.18 g/mol
LogP5.00
Rot. Bonds2

About 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene

1-iodo-4-(2-phenylcyclobuten-1-yl)benzene (PubChem CID 10616539) has the molecular formula C16H13I and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene.

Molecular Properties

Compound Name1-iodo-4-(2-phenylcyclobuten-1-yl)benzene
PubChem CID10616539
Molecular FormulaC16H13I
Molecular Weight332.18 g/mol
Exact Mass332.01
IUPAC Name1-iodo-4-(2-phenylcyclobuten-1-yl)benzene
SMILESIc1ccc(C2=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H13I/c17-14-8-6-13(7-9-14)16-11-10-15(16)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeySJKFSJOLAVDRCO-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 131842725
(1Z)-1,2-diphenylcyclododecene
CID 5378897
1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene
CID 162245084
4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline
CID 139751422
(2-bromocyclobuten-1-yl)benzene
CID 582401
iodobenzene dichloride
CID 13166207
iodobenzene;methane
CID 161271441
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
CID 174505698
1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene
CID 22917345
azulene;phosphane
CID 175448344

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene?
The IUPAC name of 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene (CID 10616539) is 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene.
What is the SMILES notation for 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene?
The canonical SMILES for 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene is Ic1ccc(C2=C(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene?
The InChIKey is SJKFSJOLAVDRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13I/c17-14-8-6-13(7-9-14)16-11-10-15(16)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene?
1-iodo-4-(2-phenylcyclobuten-1-yl)benzene has a molecular weight of 332.18 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(2-phenylcyclobuten-1-yl)benzene is sourced from PubChem (CID 10616539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).