1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene

C18H15I — CID 126515673

IUPAC1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene
SMILESIc1ccc(-c2ccc(C3C=CC=CC3)cc2)cc1
InChIInChI=1S/C18H15I/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-4,6-14H,5H2
InChIKeyAAXFPOGEIKFCPW-UHFFFAOYSA-N
MW358.22 g/mol
LogP5.56
Rot. Bonds2

About 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene

1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene (PubChem CID 126515673) has the molecular formula C18H15I and a molecular weight of 358.22 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene
PubChem CID126515673
Molecular FormulaC18H15I
Molecular Weight358.22 g/mol
Exact Mass358.02
IUPAC Name1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene
SMILESIc1ccc(-c2ccc(C3C=CC=CC3)cc2)cc1
InChIInChI=1S/C18H15I/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-4,6-14H,5H2
InChIKeyAAXFPOGEIKFCPW-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.22
LogP ≤ 55.56
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 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene (CID 126515673) is 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene is Ic1ccc(-c2ccc(C3C=CC=CC3)cc2)cc1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene?
The InChIKey is AAXFPOGEIKFCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15I/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-4,6-14H,5H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene?
1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene has a molecular weight of 358.22 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene is sourced from PubChem (CID 126515673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).