5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol

C28H38O2 — CID 123147657

IUPAC5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol
SMILESCOc1cc2c(cc1C(C)C)C(C)(C)CC21CC(C)(C)c2cc(C(C)C)c(O)cc21
InChIInChI=1S/C28H38O2/c1-16(2)18-10-20-22(12-24(18)29)28(14-26(20,5)6)15-27(7,8)21-11-19(17(3)4)25(30-9)13-23(21)28/h10-13,16-17,29H,14-15H2,1-9H3
InChIKeyHCOCSXPVWRQJSZ-UHFFFAOYSA-N
MW406.61 g/mol
LogP7.30
Rot. Bonds3

About 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol

5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol (PubChem CID 123147657) has the molecular formula C28H38O2 and a molecular weight of 406.61 g/mol. Its IUPAC name is 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol.

Molecular Properties

Compound Name5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol
PubChem CID123147657
Molecular FormulaC28H38O2
Molecular Weight406.61 g/mol
Exact Mass406.29
IUPAC Name5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol
SMILESCOc1cc2c(cc1C(C)C)C(C)(C)CC21CC(C)(C)c2cc(C(C)C)c(O)cc21
InChIInChI=1S/C28H38O2/c1-16(2)18-10-20-22(12-24(18)29)28(14-26(20,5)6)15-27(7,8)21-11-19(17(3)4)25(30-9)13-23(21)28/h10-13,16-17,29H,14-15H2,1-9H3
InChIKeyHCOCSXPVWRQJSZ-UHFFFAOYSA-N
XLogP7.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol with MolForge

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Related Compounds

1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol
CID 145489348
6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol
CID 102292804
1,1,1',1'-tetramethyl-6,6'-dioctoxy-3,3'-spirobi[2H-indene]-5,5'-diol
CID 19356780
5,5'-dimethoxy-1,1,1',1'-tetramethyl-6,6'-dinitro-3,3'-spirobi[2H-indene]
CID 141498547
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842299
5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]
CID 145209550
6,6'-bis(2-chloroethyl)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
CID 19356823
methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]phenol
CID 161312466
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886

Frequently Asked Questions

What is the IUPAC name of 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol?
The IUPAC name of 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol (CID 123147657) is 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol.
What is the SMILES notation for 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol?
The canonical SMILES for 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol is COc1cc2c(cc1C(C)C)C(C)(C)CC21CC(C)(C)c2cc(C(C)C)c(O)cc21.
What is the InChIKey of 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol?
The InChIKey is HCOCSXPVWRQJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O2/c1-16(2)18-10-20-22(12-24(18)29)28(14-26(20,5)6)15-27(7,8)21-11-19(17(3)4)25(30-9)13-23(21)28/h10-13,16-17,29H,14-15H2,1-9H3.
What are the key properties of 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol?
5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol has a molecular weight of 406.61 g/mol, XLogP of 7.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol is sourced from PubChem (CID 123147657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).