2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol

C29H44O2 — CID 124635312

IUPAC2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol
SMILESCC[C@H](C)c1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc([C@@H](C)CC)c2O)c1O
InChIInChI=1S/C29H44O2/c1-11-18(3)24-16-22(28(5,6)7)14-20(26(24)30)13-21-15-23(29(8,9)10)17-25(27(21)31)19(4)12-2/h14-19,30-31H,11-13H2,1-10H3/t18-,19-/m0/s1
InChIKeyYVFVSMKGHIHIPM-OALUTQOASA-N
MW424.67 g/mol
LogP8.31
Rot. Bonds6

About 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol

2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol (PubChem CID 124635312) has the molecular formula C29H44O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol
PubChem CID124635312
Molecular FormulaC29H44O2
Molecular Weight424.67 g/mol
Exact Mass424.33
IUPAC Name2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol
SMILESCC[C@H](C)c1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc([C@@H](C)CC)c2O)c1O
InChIInChI=1S/C29H44O2/c1-11-18(3)24-16-22(28(5,6)7)14-20(26(24)30)13-21-15-23(29(8,9)10)17-25(27(21)31)19(4)12-2/h14-19,30-31H,11-13H2,1-10H3/t18-,19-/m0/s1
InChIKeyYVFVSMKGHIHIPM-OALUTQOASA-N
XLogP8.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol with MolForge

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Launch Full Analysis

Related Compounds

2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
CID 18961291
4-[[3,5-bis[(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-butan-2-yl-6-tert-butylphenol
CID 139646427
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane
CID 142998907
3-(5-tert-butyl-2,3-dihydroxyphenyl)butanal
CID 117345148
2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride
CID 170889153
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
2,6-di(butan-2-yl)-4-butylphenol
CID 66619822
2-butan-2-yl-4-fluoro-6-propan-2-ylphenol
CID 25134493
(3-butan-2-yl-5-tert-butyl-2-methoxyanilino)methanesulfinic acid
CID 70888215
trisodium;2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol;phosphate
CID 159744208
2-butan-2-yl-5-tert-butyl-4-chlorophenol
CID 118092252
5-butan-2-yl-2-tert-butyl-4-fluorophenol
CID 118092191

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol?
The IUPAC name of 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol (CID 124635312) is 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol.
What is the SMILES notation for 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol?
The canonical SMILES for 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol is CC[C@H](C)c1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc([C@@H](C)CC)c2O)c1O.
What is the InChIKey of 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol?
The InChIKey is YVFVSMKGHIHIPM-OALUTQOASA-N. The full InChI is InChI=1S/C29H44O2/c1-11-18(3)24-16-22(28(5,6)7)14-20(26(24)30)13-21-15-23(29(8,9)10)17-25(27(21)31)19(4)12-2/h14-19,30-31H,11-13H2,1-10H3/t18-,19-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol?
2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol has a molecular weight of 424.67 g/mol, XLogP of 8.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol is sourced from PubChem (CID 124635312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).