2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol

C32H44O2 — CID 59431040

IUPAC2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol
SMILESCc1cc(C2CC3C4CC(c5cc(C)cc(C(C)(C)C)c5O)C(C4)C3C2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H44O2/c1-17-9-22(29(33)27(11-17)31(3,4)5)20-13-21-19-14-24(23(21)16-20)25(15-19)26-10-18(2)12-28(30(26)34)32(6,7)8/h9-12,19-21,23-25,33-34H,13-16H2,1-8H3
InChIKeyQTEQCZDCQVSCMM-UHFFFAOYSA-N
MW460.70 g/mol
LogP8.24
Rot. Bonds2

About 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol

2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol (PubChem CID 59431040) has the molecular formula C32H44O2 and a molecular weight of 460.70 g/mol. Its IUPAC name is 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol
PubChem CID59431040
Molecular FormulaC32H44O2
Molecular Weight460.70 g/mol
Exact Mass460.33
IUPAC Name2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol
SMILESCc1cc(C2CC3C4CC(c5cc(C)cc(C(C)(C)C)c5O)C(C4)C3C2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H44O2/c1-17-9-22(29(33)27(11-17)31(3,4)5)20-13-21-19-14-24(23(21)16-20)25(15-19)26-10-18(2)12-28(30(26)34)32(6,7)8/h9-12,19-21,23-25,33-34H,13-16H2,1-8H3
InChIKeyQTEQCZDCQVSCMM-UHFFFAOYSA-N
XLogP8.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol (CID 59431040) is 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol is Cc1cc(C2CC3C4CC(c5cc(C)cc(C(C)(C)C)c5O)C(C4)C3C2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol?
The InChIKey is QTEQCZDCQVSCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44O2/c1-17-9-22(29(33)27(11-17)31(3,4)5)20-13-21-19-14-24(23(21)16-20)25(15-19)26-10-18(2)12-28(30(26)34)32(6,7)8/h9-12,19-21,23-25,33-34H,13-16H2,1-8H3.
What are the key properties of 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol?
2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol has a molecular weight of 460.70 g/mol, XLogP of 8.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol is sourced from PubChem (CID 59431040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).