4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol

C42H48O6 — CID 159253839

IUPAC4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
SMILESCC1(C)CC2(CC(C)(C)c3ccc(O)cc32)c2cc(O)ccc21.CC1(C)CC2(CC(C)(C)c3ccc(O)cc3O2)Oc2cc(O)ccc21
InChIInChI=1S/C21H24O4.C21H24O2/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21;1-19(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/h5-10,22-23H,11-12H2,1-4H3;5-10,22-23H,11-12H2,1-4H3
InChIKeyKVQGBNQAHZUIFU-UHFFFAOYSA-N
MW648.84 g/mol
LogP9.36
Rot. Bonds

About 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol

4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol (PubChem CID 159253839) has the molecular formula C42H48O6 and a molecular weight of 648.84 g/mol. Its IUPAC name is 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol.

Molecular Properties

Compound Name4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
PubChem CID159253839
Molecular FormulaC42H48O6
Molecular Weight648.84 g/mol
Exact Mass648.35
IUPAC Name4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
SMILESCC1(C)CC2(CC(C)(C)c3ccc(O)cc32)c2cc(O)ccc21.CC1(C)CC2(CC(C)(C)c3ccc(O)cc3O2)Oc2cc(O)ccc21
InChIInChI=1S/C21H24O4.C21H24O2/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21;1-19(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/h5-10,22-23H,11-12H2,1-4H3;5-10,22-23H,11-12H2,1-4H3
InChIKeyKVQGBNQAHZUIFU-UHFFFAOYSA-N
XLogP9.36
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.84
LogP ≤ 59.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol with MolForge

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Related Compounds

1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol triiodide
CID 160502444
4-(7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol
CID 162010802
5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol
CID 58939172
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine
CID 67055545
ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol
CID 142016467
6-[[7'-(6-hydroxyhexoxy)-4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7-yl]oxy]hexan-1-ol
CID 101019916
4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol
CID 21466615
1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine
CID 101027452
1,1,3-trimethyl-3-(4-methylphenyl)-2H-inden-5-ol
CID 59962334
4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol
CID 10683586
CID 139684248
CID 139684248
1-(4-methoxyphenyl)-1,3,3-trimethyl-2H-inden-5-ol
CID 142243705

Frequently Asked Questions

What is the IUPAC name of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol?
The IUPAC name of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol (CID 159253839) is 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol.
What is the SMILES notation for 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol?
The canonical SMILES for 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol is CC1(C)CC2(CC(C)(C)c3ccc(O)cc32)c2cc(O)ccc21.CC1(C)CC2(CC(C)(C)c3ccc(O)cc3O2)Oc2cc(O)ccc21.
What is the InChIKey of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol?
The InChIKey is KVQGBNQAHZUIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4.C21H24O2/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21;1-19(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/h5-10,22-23H,11-12H2,1-4H3;5-10,22-23H,11-12H2,1-4H3.
What are the key properties of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol?
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol has a molecular weight of 648.84 g/mol, XLogP of 9.36, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol is sourced from PubChem (CID 159253839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).