2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol

C35H40O4 — CID 22411807

IUPAC2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol
SMILESCCC(c1ccc(-c2ccc(O)cc2)c(O)c1C(C)(C)C)c1ccc(-c2ccc(O)cc2)c(O)c1C(C)(C)C
InChIInChI=1S/C35H40O4/c1-8-25(28-19-17-26(21-9-13-23(36)14-10-21)32(38)30(28)34(2,3)4)29-20-18-27(22-11-15-24(37)16-12-22)33(39)31(29)35(5,6)7/h9-20,25,36-39H,8H2,1-7H3
InChIKeyYKOYEFHQCUHCGI-UHFFFAOYSA-N
MW524.70 g/mol
LogP8.98
Rot. Bonds5

About 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol

2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol (PubChem CID 22411807) has the molecular formula C35H40O4 and a molecular weight of 524.70 g/mol. Its IUPAC name is 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol
PubChem CID22411807
Molecular FormulaC35H40O4
Molecular Weight524.70 g/mol
Exact Mass524.29
IUPAC Name2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol
SMILESCCC(c1ccc(-c2ccc(O)cc2)c(O)c1C(C)(C)C)c1ccc(-c2ccc(O)cc2)c(O)c1C(C)(C)C
InChIInChI=1S/C35H40O4/c1-8-25(28-19-17-26(21-9-13-23(36)14-10-21)32(38)30(28)34(2,3)4)29-20-18-27(22-11-15-24(37)16-12-22)33(39)31(29)35(5,6)7/h9-20,25,36-39H,8H2,1-7H3
InChIKeyYKOYEFHQCUHCGI-UHFFFAOYSA-N
XLogP8.98
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.70
LogP ≤ 58.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
Bisphenol C
CID 6620
4,4'-Butylidenebis(3-methyl-6-tert-butylphenol)
CID 6815
trans-Ferruginol
CID 442027
(+)-Totarol
CID 92783
4,6-Di-tert-butyl-3-methylphenol
CID 10346
2,4-Dicumylphenol
CID 76013
1,1'-Methylenebis(2-naphthalenol)
CID 14187
4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
CID 634278
Phenol, 4,4'-cyclohexylidenebis[2-methyl-
CID 75386
4,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol)
CID 4134035

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol (CID 22411807) is 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol is CCC(c1ccc(-c2ccc(O)cc2)c(O)c1C(C)(C)C)c1ccc(-c2ccc(O)cc2)c(O)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol?
The InChIKey is YKOYEFHQCUHCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O4/c1-8-25(28-19-17-26(21-9-13-23(36)14-10-21)32(38)30(28)34(2,3)4)29-20-18-27(22-11-15-24(37)16-12-22)33(39)31(29)35(5,6)7/h9-20,25,36-39H,8H2,1-7H3.
What are the key properties of 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol?
2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol has a molecular weight of 524.70 g/mol, XLogP of 8.98, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[1-[2-tert-butyl-3-hydroxy-4-(4-hydroxyphenyl)phenyl]propyl]-6-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 22411807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).