2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol

C31H48O2 — CID 151086518

IUPAC2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol
SMILESCCCCc1ccc(C(CC)c2ccc(CCCC)c(O)c2CCCC)c(CCCC)c1O
InChIInChI=1S/C31H48O2/c1-6-11-15-23-19-21-26(28(30(23)32)17-13-8-3)25(10-5)27-22-20-24(16-12-7-2)31(33)29(27)18-14-9-4/h19-22,25,32-33H,6-18H2,1-5H3
InChIKeyMLFJJVORXMEENO-UHFFFAOYSA-N
MW452.72 g/mol
LogP9.01
Rot. Bonds15

About 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol

2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol (PubChem CID 151086518) has the molecular formula C31H48O2 and a molecular weight of 452.72 g/mol. Its IUPAC name is 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol
PubChem CID151086518
Molecular FormulaC31H48O2
Molecular Weight452.72 g/mol
Exact Mass452.37
IUPAC Name2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol
SMILESCCCCc1ccc(C(CC)c2ccc(CCCC)c(O)c2CCCC)c(CCCC)c1O
InChIInChI=1S/C31H48O2/c1-6-11-15-23-19-21-26(28(30(23)32)17-13-8-3)25(10-5)27-22-20-24(16-12-7-2)31(33)29(27)18-14-9-4/h19-22,25,32-33H,6-18H2,1-5H3
InChIKeyMLFJJVORXMEENO-UHFFFAOYSA-N
XLogP9.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.72
LogP ≤ 59.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-tetrabutylbenzene
CID 11220391
2,3-dibutyl-6-methylphenol;manganese
CID 174911131
2-(3,4-dibutyl-2-hydroxyphenyl)propanoic acid;octadecanoic acid
CID 175383219
2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
CID 117316995
3-butyl-6-methyl-4-pentylbenzene-1,2-diol
CID 87875378
CID 174716298
CID 174716298
6-butyl-2-tert-butyl-3-methylphenol
CID 154177519
2,3-dimethyl-6-octylphenol
CID 141122420
2,4,6-tributyl-3-sulfanylphenol
CID 123276718
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
2-methyl-6-undecylphenol
CID 174998801

Frequently Asked Questions

What is the IUPAC name of 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol?
The IUPAC name of 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol (CID 151086518) is 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol is CCCCc1ccc(C(CC)c2ccc(CCCC)c(O)c2CCCC)c(CCCC)c1O.
What is the InChIKey of 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol?
The InChIKey is MLFJJVORXMEENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O2/c1-6-11-15-23-19-21-26(28(30(23)32)17-13-8-3)25(10-5)27-22-20-24(16-12-7-2)31(33)29(27)18-14-9-4/h19-22,25,32-33H,6-18H2,1-5H3.
What are the key properties of 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol?
2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol has a molecular weight of 452.72 g/mol, XLogP of 9.01, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol is sourced from PubChem (CID 151086518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).