4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol

C28H32O2 — CID 174721498

IUPAC4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol
SMILESCc1cc(C2(C)CC(C)(C)c3c2cc(C)c(-c2ccccc2O)c3C)cc(C)c1O
InChIInChI=1S/C28H32O2/c1-16-14-22-25(19(4)24(16)21-10-8-9-11-23(21)29)27(5,6)15-28(22,7)20-12-17(2)26(30)18(3)13-20/h8-14,29-30H,15H2,1-7H3
InChIKeyXILOZKSRTAFCNS-UHFFFAOYSA-N
MW400.56 g/mol
LogP6.99
Rot. Bonds2

About 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol

4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol (PubChem CID 174721498) has the molecular formula C28H32O2 and a molecular weight of 400.56 g/mol. Its IUPAC name is 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol
PubChem CID174721498
Molecular FormulaC28H32O2
Molecular Weight400.56 g/mol
Exact Mass400.24
IUPAC Name4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol
SMILESCc1cc(C2(C)CC(C)(C)c3c2cc(C)c(-c2ccccc2O)c3C)cc(C)c1O
InChIInChI=1S/C28H32O2/c1-16-14-22-25(19(4)24(16)21-10-8-9-11-23(21)29)27(5,6)15-28(22,7)20-12-17(2)26(30)18(3)13-20/h8-14,29-30H,15H2,1-7H3
InChIKeyXILOZKSRTAFCNS-UHFFFAOYSA-N
XLogP6.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol (CID 174721498) is 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol is Cc1cc(C2(C)CC(C)(C)c3c2cc(C)c(-c2ccccc2O)c3C)cc(C)c1O.
What is the InChIKey of 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol?
The InChIKey is XILOZKSRTAFCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O2/c1-16-14-22-25(19(4)24(16)21-10-8-9-11-23(21)29)27(5,6)15-28(22,7)20-12-17(2)26(30)18(3)13-20/h8-14,29-30H,15H2,1-7H3.
What are the key properties of 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol?
4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol has a molecular weight of 400.56 g/mol, XLogP of 6.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol is sourced from PubChem (CID 174721498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).