4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol

C23H28O4 — CID 10937491

IUPAC4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol
SMILESCc1cc2c(cc1O)C(C)(C)CC1(CC(C)(C)c3cc(O)c(C)cc3O1)O2
InChIInChI=1S/C23H28O4/c1-13-7-19-15(9-17(13)24)21(3,4)11-23(26-19)12-22(5,6)16-10-18(25)14(2)8-20(16)27-23/h7-10,24-25H,11-12H2,1-6H3
InChIKeyHPPJCHQXOCLCJJ-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.23
Rot. Bonds

About 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol

4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol (PubChem CID 10937491) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol.

Molecular Properties

Compound Name4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol
PubChem CID10937491
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol
SMILESCc1cc2c(cc1O)C(C)(C)CC1(CC(C)(C)c3cc(O)c(C)cc3O1)O2
InChIInChI=1S/C23H28O4/c1-13-7-19-15(9-17(13)24)21(3,4)11-23(26-19)12-22(5,6)16-10-18(25)14(2)8-20(16)27-23/h7-10,24-25H,11-12H2,1-6H3
InChIKeyHPPJCHQXOCLCJJ-UHFFFAOYSA-N
XLogP5.23
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol with MolForge

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Related Compounds

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Nabiximols
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2-(3,4-Dihydro-2,4,4,7-tetramethyl-2H-1-benzopyran-2-yl)-5-methylphenol
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eta-Tocopherol
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3-[1-(3-Fluoro-phenyl)-1-methyl-ethyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CID 44593431
Cannador
CID 44148067
3,3'-Bis(1,1-dimethylethyl)-5,5'-dimethoxy(1,1'-biphenyl)-2,2'-diol
CID 119234
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-7-octyl-
CID 91221
Enokipodin A
CID 10800580
(6aR,10aR)-6,6,9-trimethyl-3-(2-p-tolylpropan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CID 24863253
(6aR,10aR)-3-(1-Cyclohexyl-1-methyl-ethyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CID 44344143
3-[1-(4-Ethyl-phenyl)-1-methyl-ethyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CID 44593428

Frequently Asked Questions

What is the IUPAC name of 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol?
The IUPAC name of 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol (CID 10937491) is 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol.
What is the SMILES notation for 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol?
The canonical SMILES for 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol is Cc1cc2c(cc1O)C(C)(C)CC1(CC(C)(C)c3cc(O)c(C)cc3O1)O2.
What is the InChIKey of 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol?
The InChIKey is HPPJCHQXOCLCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-13-7-19-15(9-17(13)24)21(3,4)11-23(26-19)12-22(5,6)16-10-18(25)14(2)8-20(16)27-23/h7-10,24-25H,11-12H2,1-6H3.
What are the key properties of 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol?
4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol has a molecular weight of 368.47 g/mol, XLogP of 5.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol is sourced from PubChem (CID 10937491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).