1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene

C24H23IO — CID 163951571

IUPAC1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene
SMILESIc1ccc(-c2ccc(-c3ccc(OCCCC4CC4)cc3)cc2)cc1
InChIInChI=1S/C24H23IO/c25-23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26-17-1-2-18-3-4-18/h5-16,18H,1-4,17H2
InChIKeyRZUBGZCRZWMTRV-UHFFFAOYSA-N
MW454.35 g/mol
LogP7.19
Rot. Bonds7

About 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene

1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene (PubChem CID 163951571) has the molecular formula C24H23IO and a molecular weight of 454.35 g/mol. Its IUPAC name is 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene.

Molecular Properties

Compound Name1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene
PubChem CID163951571
Molecular FormulaC24H23IO
Molecular Weight454.35 g/mol
Exact Mass454.08
IUPAC Name1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene
SMILESIc1ccc(-c2ccc(-c3ccc(OCCCC4CC4)cc3)cc2)cc1
InChIInChI=1S/C24H23IO/c25-23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26-17-1-2-18-3-4-18/h5-16,18H,1-4,17H2
InChIKeyRZUBGZCRZWMTRV-UHFFFAOYSA-N
XLogP7.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.35
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene?
The IUPAC name of 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene (CID 163951571) is 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene.
What is the SMILES notation for 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene?
The canonical SMILES for 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene is Ic1ccc(-c2ccc(-c3ccc(OCCCC4CC4)cc3)cc2)cc1.
What is the InChIKey of 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene?
The InChIKey is RZUBGZCRZWMTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23IO/c25-23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26-17-1-2-18-3-4-18/h5-16,18H,1-4,17H2.
What are the key properties of 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene?
1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene has a molecular weight of 454.35 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene is sourced from PubChem (CID 163951571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).