5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol

C26H38O2 — CID 101311642

IUPAC5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol
SMILESCCCCc1cc(C)c(C(CCC)c2c(C)cc(CCCC)cc2O)c(O)c1
InChIInChI=1S/C26H38O2/c1-6-9-12-20-14-18(4)25(23(27)16-20)22(11-8-3)26-19(5)15-21(13-10-7-2)17-24(26)28/h14-17,22,27-28H,6-13H2,1-5H3
InChIKeyLSUCDKMNFPUWQM-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.33
Rot. Bonds10

About 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol

5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol (PubChem CID 101311642) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol.

Molecular Properties

Compound Name5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol
PubChem CID101311642
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol
SMILESCCCCc1cc(C)c(C(CCC)c2c(C)cc(CCCC)cc2O)c(O)c1
InChIInChI=1S/C26H38O2/c1-6-9-12-20-14-18(4)25(23(27)16-20)22(11-8-3)26-19(5)15-21(13-10-7-2)17-24(26)28/h14-17,22,27-28H,6-13H2,1-5H3
InChIKeyLSUCDKMNFPUWQM-UHFFFAOYSA-N
XLogP7.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol 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

2,6-dimethyl-4-pentylphenol
CID 22625507
2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol
CID 101311632
5-(4-methylpentyl)-2-undecan-2-ylbenzene-1,3-diol
CID 150677292
4-butyl-2-methylphenol
CID 10964856
2,6-dimethyl-4-octadecylphenol
CID 66619575
5-hexylbenzene-1,2,3-triol
CID 54026211
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
3,5-dibutyl-2-methylphenol
CID 10285910
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
2-bromo-5-butyl-1,3-dimethylbenzene
CID 67873453
3,5-dibutylphenol
CID 15936149
2,5-dibutyl-3-phenylphenol
CID 122215941

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol?
The IUPAC name of 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol (CID 101311642) is 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol.
What is the SMILES notation for 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol?
The canonical SMILES for 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol is CCCCc1cc(C)c(C(CCC)c2c(C)cc(CCCC)cc2O)c(O)c1.
What is the InChIKey of 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol?
The InChIKey is LSUCDKMNFPUWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-6-9-12-20-14-18(4)25(23(27)16-20)22(11-8-3)26-19(5)15-21(13-10-7-2)17-24(26)28/h14-17,22,27-28H,6-13H2,1-5H3.
What are the key properties of 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol?
5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol has a molecular weight of 382.59 g/mol, XLogP of 7.33, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol is sourced from PubChem (CID 101311642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).