5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol

C21H23ClO — CID 58939172

IUPAC5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol
SMILESCC1(C)CC2(CC(C)(C)c3ccc(Cl)cc32)c2cc(O)ccc21
InChIInChI=1S/C21H23ClO/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,23H,11-12H2,1-4H3
InChIKeyHWMLJKFVMTVMJT-UHFFFAOYSA-N
MW326.87 g/mol
LogP5.69
Rot. Bonds

About 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol

5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol (PubChem CID 58939172) has the molecular formula C21H23ClO and a molecular weight of 326.87 g/mol. Its IUPAC name is 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol.

Molecular Properties

Compound Name5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol
PubChem CID58939172
Molecular FormulaC21H23ClO
Molecular Weight326.87 g/mol
Exact Mass326.14
IUPAC Name5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol
SMILESCC1(C)CC2(CC(C)(C)c3ccc(Cl)cc32)c2cc(O)ccc21
InChIInChI=1S/C21H23ClO/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,23H,11-12H2,1-4H3
InChIKeyHWMLJKFVMTVMJT-UHFFFAOYSA-N
XLogP5.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.87
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol?
The IUPAC name of 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol (CID 58939172) is 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol.
What is the SMILES notation for 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol?
The canonical SMILES for 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol is CC1(C)CC2(CC(C)(C)c3ccc(Cl)cc32)c2cc(O)ccc21.
What is the InChIKey of 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol?
The InChIKey is HWMLJKFVMTVMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClO/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,23H,11-12H2,1-4H3.
What are the key properties of 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol?
5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol has a molecular weight of 326.87 g/mol, XLogP of 5.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol is sourced from PubChem (CID 58939172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).