2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole

C25H34FNO2 — CID 118282881

IUPAC2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole
SMILESCC(C)Oc1ccc(CCC(C)(C)N2Cc3ccc(F)cc3C2)cc1OC(C)C
InChIInChI=1S/C25H34FNO2/c1-17(2)28-23-10-7-19(13-24(23)29-18(3)4)11-12-25(5,6)27-15-20-8-9-22(26)14-21(20)16-27/h7-10,13-14,17-18H,11-12,15-16H2,1-6H3
InChIKeyLZYHBBIARMIKJV-UHFFFAOYSA-N
MW399.55 g/mol
LogP6.13
Rot. Bonds8

About 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole

2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole (PubChem CID 118282881) has the molecular formula C25H34FNO2 and a molecular weight of 399.55 g/mol. Its IUPAC name is 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole
PubChem CID118282881
Molecular FormulaC25H34FNO2
Molecular Weight399.55 g/mol
Exact Mass399.26
IUPAC Name2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole
SMILESCC(C)Oc1ccc(CCC(C)(C)N2Cc3ccc(F)cc3C2)cc1OC(C)C
InChIInChI=1S/C25H34FNO2/c1-17(2)28-23-10-7-19(13-24(23)29-18(3)4)11-12-25(5,6)27-15-20-8-9-22(26)14-21(20)16-27/h7-10,13-14,17-18H,11-12,15-16H2,1-6H3
InChIKeyLZYHBBIARMIKJV-UHFFFAOYSA-N
XLogP6.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.55
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole 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-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole?
The IUPAC name of 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole (CID 118282881) is 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole.
What is the SMILES notation for 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole?
The canonical SMILES for 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole is CC(C)Oc1ccc(CCC(C)(C)N2Cc3ccc(F)cc3C2)cc1OC(C)C.
What is the InChIKey of 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole?
The InChIKey is LZYHBBIARMIKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO2/c1-17(2)28-23-10-7-19(13-24(23)29-18(3)4)11-12-25(5,6)27-15-20-8-9-22(26)14-21(20)16-27/h7-10,13-14,17-18H,11-12,15-16H2,1-6H3.
What are the key properties of 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole?
2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole has a molecular weight of 399.55 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole is sourced from PubChem (CID 118282881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).