4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol

C38H46O2 — CID 71368019

IUPAC4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol
SMILESCCCC(c1cc(Cc2ccccc2)cc(C(C)(C)C)c1O)c1cc(Cc2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C38H46O2/c1-8-15-30(31-22-28(20-26-16-11-9-12-17-26)24-33(35(31)39)37(2,3)4)32-23-29(21-27-18-13-10-14-19-27)25-34(36(32)40)38(5,6)7/h9-14,16-19,22-25,30,39-40H,8,15,20-21H2,1-7H3
InChIKeySKALSWBLERWZOV-UHFFFAOYSA-N
MW534.78 g/mol
LogP9.81
Rot. Bonds8

About 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol

4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol (PubChem CID 71368019) has the molecular formula C38H46O2 and a molecular weight of 534.78 g/mol. Its IUPAC name is 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol.

Molecular Properties

Compound Name4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol
PubChem CID71368019
Molecular FormulaC38H46O2
Molecular Weight534.78 g/mol
Exact Mass534.35
IUPAC Name4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol
SMILESCCCC(c1cc(Cc2ccccc2)cc(C(C)(C)C)c1O)c1cc(Cc2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C38H46O2/c1-8-15-30(31-22-28(20-26-16-11-9-12-17-26)24-33(35(31)39)37(2,3)4)32-23-29(21-27-18-13-10-14-19-27)25-34(36(32)40)38(5,6)7/h9-14,16-19,22-25,30,39-40H,8,15,20-21H2,1-7H3
InChIKeySKALSWBLERWZOV-UHFFFAOYSA-N
XLogP9.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.78
LogP ≤ 59.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol?
The IUPAC name of 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol (CID 71368019) is 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol.
What is the SMILES notation for 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol?
The canonical SMILES for 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol is CCCC(c1cc(Cc2ccccc2)cc(C(C)(C)C)c1O)c1cc(Cc2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol?
The InChIKey is SKALSWBLERWZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O2/c1-8-15-30(31-22-28(20-26-16-11-9-12-17-26)24-33(35(31)39)37(2,3)4)32-23-29(21-27-18-13-10-14-19-27)25-34(36(32)40)38(5,6)7/h9-14,16-19,22-25,30,39-40H,8,15,20-21H2,1-7H3.
What are the key properties of 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol?
4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol has a molecular weight of 534.78 g/mol, XLogP of 9.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol is sourced from PubChem (CID 71368019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).