3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol

C29H44O2 — CID 23324474

IUPAC3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol
SMILESCCCCc1cc(O)cc(C(C)(C)C)c1Cc1c(CCCC)cc(O)cc1C(C)(C)C
InChIInChI=1S/C29H44O2/c1-9-11-13-20-15-22(30)17-26(28(3,4)5)24(20)19-25-21(14-12-10-2)16-23(31)18-27(25)29(6,7)8/h15-18,30-31H,9-14,19H2,1-8H3
InChIKeyCKFUDPQDYYPMAL-UHFFFAOYSA-N
MW424.67 g/mol
LogP7.97
Rot. Bonds8

About 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol

3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol (PubChem CID 23324474) has the molecular formula C29H44O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol
PubChem CID23324474
Molecular FormulaC29H44O2
Molecular Weight424.67 g/mol
Exact Mass424.33
IUPAC Name3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol
SMILESCCCCc1cc(O)cc(C(C)(C)C)c1Cc1c(CCCC)cc(O)cc1C(C)(C)C
InChIInChI=1S/C29H44O2/c1-9-11-13-20-15-22(30)17-26(28(3,4)5)24(20)19-25-21(14-12-10-2)16-23(31)18-27(25)29(6,7)8/h15-18,30-31H,9-14,19H2,1-8H3
InChIKeyCKFUDPQDYYPMAL-UHFFFAOYSA-N
XLogP7.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol with MolForge

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Related Compounds

3-butyl-5-tert-butyl-4-[1-(2-butyl-6-tert-butyl-4-hydroxyphenyl)propyl]phenol
CID 23324476
3,5-ditert-butyl-4-ethylphenol
CID 54064796
3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol
CID 86052181
2,6-ditert-butyl-4-[[2,4,6-tributyl-3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 137459723
4-butyl-2,6-ditert-butylphenol
CID 158079570
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
2,6-di(undecyl)benzene-1,4-diol
CID 139946395
6-tert-butyl-3-methyl-2,4-dioctylphenol
CID 139902763
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol
CID 87160979
2-butyl-4,6-ditert-butylaniline
CID 167227063

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol (CID 23324474) is 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol is CCCCc1cc(O)cc(C(C)(C)C)c1Cc1c(CCCC)cc(O)cc1C(C)(C)C.
What is the InChIKey of 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol?
The InChIKey is CKFUDPQDYYPMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O2/c1-9-11-13-20-15-22(30)17-26(28(3,4)5)24(20)19-25-21(14-12-10-2)16-23(31)18-27(25)29(6,7)8/h15-18,30-31H,9-14,19H2,1-8H3.
What are the key properties of 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol?
3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol has a molecular weight of 424.67 g/mol, XLogP of 7.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 23324474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).