(4-iodo-6-phenylcyclohexen-1-yl)benzene

C18H17I — CID 89170851

IUPAC(4-iodo-6-phenylcyclohexen-1-yl)benzene
SMILESIC1CC=C(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H17I/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-10,12,16,18H,11,13H2
InChIKeyHWFUOTOPPMQZTF-UHFFFAOYSA-N
MW360.24 g/mol
LogP5.45
Rot. Bonds2

About (4-iodo-6-phenylcyclohexen-1-yl)benzene

(4-iodo-6-phenylcyclohexen-1-yl)benzene (PubChem CID 89170851) has the molecular formula C18H17I and a molecular weight of 360.24 g/mol. Its IUPAC name is (4-iodo-6-phenylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name(4-iodo-6-phenylcyclohexen-1-yl)benzene
PubChem CID89170851
Molecular FormulaC18H17I
Molecular Weight360.24 g/mol
Exact Mass360.04
IUPAC Name(4-iodo-6-phenylcyclohexen-1-yl)benzene
SMILESIC1CC=C(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H17I/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-10,12,16,18H,11,13H2
InChIKeyHWFUOTOPPMQZTF-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-iodo-6-phenylcyclohexen-1-yl)benzene?
The IUPAC name of (4-iodo-6-phenylcyclohexen-1-yl)benzene (CID 89170851) is (4-iodo-6-phenylcyclohexen-1-yl)benzene.
What is the SMILES notation for (4-iodo-6-phenylcyclohexen-1-yl)benzene?
The canonical SMILES for (4-iodo-6-phenylcyclohexen-1-yl)benzene is IC1CC=C(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of (4-iodo-6-phenylcyclohexen-1-yl)benzene?
The InChIKey is HWFUOTOPPMQZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17I/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-10,12,16,18H,11,13H2.
What are the key properties of (4-iodo-6-phenylcyclohexen-1-yl)benzene?
(4-iodo-6-phenylcyclohexen-1-yl)benzene has a molecular weight of 360.24 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-6-phenylcyclohexen-1-yl)benzene is sourced from PubChem (CID 89170851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).