6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol

C23H28O6 — CID 102292804

IUPAC6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol
SMILESCOc1cc2c(c(O)c1O)C(C)(C)CC21CC(C)(C)c2c1cc(OC)c(O)c2O
InChIInChI=1S/C23H28O6/c1-21(2)9-23(11-7-13(28-5)17(24)19(26)15(11)21)10-22(3,4)16-12(23)8-14(29-6)18(25)20(16)27/h7-8,24-27H,9-10H2,1-6H3
InChIKeyMULHSQFQBAMSSW-UHFFFAOYSA-N
MW400.47 g/mol
LogP4.17
Rot. Bonds2

About 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol

6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol (PubChem CID 102292804) has the molecular formula C23H28O6 and a molecular weight of 400.47 g/mol. Its IUPAC name is 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol.

Molecular Properties

Compound Name6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol
PubChem CID102292804
Molecular FormulaC23H28O6
Molecular Weight400.47 g/mol
Exact Mass400.19
IUPAC Name6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol
SMILESCOc1cc2c(c(O)c1O)C(C)(C)CC21CC(C)(C)c2c1cc(OC)c(O)c2O
InChIInChI=1S/C23H28O6/c1-21(2)9-23(11-7-13(28-5)17(24)19(26)15(11)21)10-22(3,4)16-12(23)8-14(29-6)18(25)20(16)27/h7-8,24-27H,9-10H2,1-6H3
InChIKeyMULHSQFQBAMSSW-UHFFFAOYSA-N
XLogP4.17
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol
CID 123147657
5,5'-dimethoxy-1,1,1',1'-tetramethyl-6,6'-dinitro-3,3'-spirobi[2H-indene]
CID 141498547
[6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol
CID 158471332
1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]
CID 54544142
4,4',6,6'-tetraiodo-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
CID 167154756
ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
CID 142271097
1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol triiodide
CID 160502444
(1S)-2-hydroxy-6,7-dimethoxy-1,4,4-trimethyl-1,3-dihydroisoquinoline
CID 134926125
2-(1-hydroxyethyl)-4-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-ol
CID 19813524
1,1,1',1'-tetramethyl-6,6'-dioctoxy-3,3'-spirobi[2H-indene]-5,5'-diol
CID 19356780
5-fluoro-2-(1-hydroxycyclopropyl)-4-methoxyphenol
CID 117287689
1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
CID 3017916

Frequently Asked Questions

What is the IUPAC name of 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol?
The IUPAC name of 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol (CID 102292804) is 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol.
What is the SMILES notation for 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol?
The canonical SMILES for 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol is COc1cc2c(c(O)c1O)C(C)(C)CC21CC(C)(C)c2c1cc(OC)c(O)c2O.
What is the InChIKey of 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol?
The InChIKey is MULHSQFQBAMSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O6/c1-21(2)9-23(11-7-13(28-5)17(24)19(26)15(11)21)10-22(3,4)16-12(23)8-14(29-6)18(25)20(16)27/h7-8,24-27H,9-10H2,1-6H3.
What are the key properties of 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol?
6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol has a molecular weight of 400.47 g/mol, XLogP of 4.17, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol is sourced from PubChem (CID 102292804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).