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

C26H38O2 — CID 101311632

IUPAC2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol
SMILESCCCCc1c(C)cc(C(CCC)c2cc(C)c(CCCC)c(O)c2)cc1O
InChIInChI=1S/C26H38O2/c1-6-9-12-22-18(4)14-20(16-25(22)27)24(11-8-3)21-15-19(5)23(13-10-7-2)26(28)17-21/h14-17,24,27-28H,6-13H2,1-5H3
InChIKeyLTNJGDQPVKUJRZ-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.33
Rot. Bonds10

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

2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol (PubChem CID 101311632) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol.

Molecular Properties

Compound Name2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol
PubChem CID101311632
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol
SMILESCCCCc1c(C)cc(C(CCC)c2cc(C)c(CCCC)c(O)c2)cc1O
InChIInChI=1S/C26H38O2/c1-6-9-12-22-18(4)14-20(16-25(22)27)24(11-8-3)21-15-19(5)23(13-10-7-2)26(28)17-21/h14-17,24,27-28H,6-13H2,1-5H3
InChIKeyLTNJGDQPVKUJRZ-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

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Related Compounds

4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
CID 15570439
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol
CID 101311642
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
CID 22321255
2-butyl-3-methylphenol
CID 174788119
2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
CID 10460281
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
CID 19990134
2,3-dibutyl-4,5-diethylphenol
CID 139832191
2-butyl-1,3,5-trimethylbenzene
CID 527298
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 19940310
4-[1,1-bis(4-hydroxy-3-methyl-5-propan-2-ylphenyl)hexan-3-yl]-2-methyl-6-propan-2-ylphenol
CID 174807107

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol?
The IUPAC name of 2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol (CID 101311632) is 2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol.
What is the SMILES notation for 2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol?
The canonical SMILES for 2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol is CCCCc1c(C)cc(C(CCC)c2cc(C)c(CCCC)c(O)c2)cc1O.
What is the InChIKey of 2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol?
The InChIKey is LTNJGDQPVKUJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-6-9-12-22-18(4)14-20(16-25(22)27)24(11-8-3)21-15-19(5)23(13-10-7-2)26(28)17-21/h14-17,24,27-28H,6-13H2,1-5H3.
What are the key properties of 2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol?
2-butyl-5-[1-(4-butyl-3-hydroxy-5-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 2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol is sourced from PubChem (CID 101311632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).