3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol

C29H44O2 — CID 86052181

IUPAC3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol
SMILESCCCCc1cc(O)c(Cc2c(O)cc(CCCC)cc2CCCC)c(CCCC)c1
InChIInChI=1S/C29H44O2/c1-5-9-13-22-17-24(15-11-7-3)26(28(30)19-22)21-27-25(16-12-8-4)18-23(14-10-6-2)20-29(27)31/h17-20,30-31H,5-16,21H2,1-4H3
InChIKeyYTLNPNPWGZAEER-UHFFFAOYSA-N
MW424.67 g/mol
LogP8.06
Rot. Bonds14

About 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol

3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol (PubChem CID 86052181) has the molecular formula C29H44O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol
PubChem CID86052181
Molecular FormulaC29H44O2
Molecular Weight424.67 g/mol
Exact Mass424.33
IUPAC Name3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol
SMILESCCCCc1cc(O)c(Cc2c(O)cc(CCCC)cc2CCCC)c(CCCC)c1
InChIInChI=1S/C29H44O2/c1-5-9-13-22-17-24(15-11-7-3)26(28(30)19-22)21-27-25(16-12-8-4)18-23(14-10-6-2)20-29(27)31/h17-20,30-31H,5-16,21H2,1-4H3
InChIKeyYTLNPNPWGZAEER-UHFFFAOYSA-N
XLogP8.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibutyl-2-methylphenol
CID 10285910
(2,4,6-tributylphenyl)methanol
CID 21099541
1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
5-butyl-1,2,3-tridodecylbenzene
CID 91450595
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
4-butyl-2,6-didodecylphenol
CID 66619638
2,3-dibutyl-5-methylphenol
CID 151375054
2-butyl-5-pentadecylphenol
CID 175271686
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2-benzyl-3-butyl-5-phenylphenol
CID 122215944

Frequently Asked Questions

What is the IUPAC name of 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol?
The IUPAC name of 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol (CID 86052181) is 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol is CCCCc1cc(O)c(Cc2c(O)cc(CCCC)cc2CCCC)c(CCCC)c1.
What is the InChIKey of 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol?
The InChIKey is YTLNPNPWGZAEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O2/c1-5-9-13-22-17-24(15-11-7-3)26(28(30)19-22)21-27-25(16-12-8-4)18-23(14-10-6-2)20-29(27)31/h17-20,30-31H,5-16,21H2,1-4H3.
What are the key properties of 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol?
3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol has a molecular weight of 424.67 g/mol, XLogP of 8.06, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 86052181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).