1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol

C27H36O4 — CID 54347559

IUPAC1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol
SMILESCC(O)COc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OCC(C)O)cc21
InChIInChI=1S/C27H36O4/c1-17(28)13-30-19-7-9-21-23(11-19)27(15-25(21,3)4)16-26(5,6)22-10-8-20(12-24(22)27)31-14-18(2)29/h7-12,17-18,28-29H,13-16H2,1-6H3
InChIKeyUDIYTHHYTWIXNJ-UHFFFAOYSA-N
MW424.58 g/mol
LogP4.85
Rot. Bonds6

About 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol

1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol (PubChem CID 54347559) has the molecular formula C27H36O4 and a molecular weight of 424.58 g/mol. Its IUPAC name is 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol
PubChem CID54347559
Molecular FormulaC27H36O4
Molecular Weight424.58 g/mol
Exact Mass424.26
IUPAC Name1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol
SMILESCC(O)COc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OCC(C)O)cc21
InChIInChI=1S/C27H36O4/c1-17(28)13-30-19-7-9-21-23(11-19)27(15-25(21,3)4)16-26(5,6)22-10-8-20(12-24(22)27)31-14-18(2)29/h7-12,17-18,28-29H,13-16H2,1-6H3
InChIKeyUDIYTHHYTWIXNJ-UHFFFAOYSA-N
XLogP4.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol 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 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol?
The IUPAC name of 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol (CID 54347559) is 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol.
What is the SMILES notation for 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol?
The canonical SMILES for 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol is CC(O)COc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OCC(C)O)cc21.
What is the InChIKey of 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol?
The InChIKey is UDIYTHHYTWIXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O4/c1-17(28)13-30-19-7-9-21-23(11-19)27(15-25(21,3)4)16-26(5,6)22-10-8-20(12-24(22)27)31-14-18(2)29/h7-12,17-18,28-29H,13-16H2,1-6H3.
What are the key properties of 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol?
1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol has a molecular weight of 424.58 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol is sourced from PubChem (CID 54347559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).