2-[4-(4-fluorophenoxy)cyclohexyl]isoindole

C20H20FNO — CID 69496210

IUPAC2-[4-(4-fluorophenoxy)cyclohexyl]isoindole
SMILESFc1ccc(OC2CCC(n3cc4ccccc4c3)CC2)cc1
InChIInChI=1S/C20H20FNO/c21-17-5-9-19(10-6-17)23-20-11-7-18(8-12-20)22-13-15-3-1-2-4-16(15)14-22/h1-6,9-10,13-14,18,20H,7-8,11-12H2
InChIKeyMLZXNXHNRNXEAL-UHFFFAOYSA-N
MW309.38 g/mol
LogP5.34
Rot. Bonds3

About 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole

2-[4-(4-fluorophenoxy)cyclohexyl]isoindole (PubChem CID 69496210) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)cyclohexyl]isoindole
PubChem CID69496210
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name2-[4-(4-fluorophenoxy)cyclohexyl]isoindole
SMILESFc1ccc(OC2CCC(n3cc4ccccc4c3)CC2)cc1
InChIInChI=1S/C20H20FNO/c21-17-5-9-19(10-6-17)23-20-11-7-18(8-12-20)22-13-15-3-1-2-4-16(15)14-22/h1-6,9-10,13-14,18,20H,7-8,11-12H2
InChIKeyMLZXNXHNRNXEAL-UHFFFAOYSA-N
XLogP5.34
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole?
The IUPAC name of 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole (CID 69496210) is 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole?
The canonical SMILES for 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole is Fc1ccc(OC2CCC(n3cc4ccccc4c3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole?
The InChIKey is MLZXNXHNRNXEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c21-17-5-9-19(10-6-17)23-20-11-7-18(8-12-20)22-13-15-3-1-2-4-16(15)14-22/h1-6,9-10,13-14,18,20H,7-8,11-12H2.
What are the key properties of 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole?
2-[4-(4-fluorophenoxy)cyclohexyl]isoindole has a molecular weight of 309.38 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)cyclohexyl]isoindole is sourced from PubChem (CID 69496210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).