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

C26H38O2 — CID 101311656

IUPAC2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol
SMILESCCCCc1cc(C)cc(C(CCC)c2cc(C)cc(CCCC)c2O)c1O
InChIInChI=1S/C26H38O2/c1-6-9-12-20-14-18(4)16-23(25(20)27)22(11-8-3)24-17-19(5)15-21(26(24)28)13-10-7-2/h14-17,22,27-28H,6-13H2,1-5H3
InChIKeySBPMVSRBSQIBLG-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.33
Rot. Bonds10

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

2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol (PubChem CID 101311656) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol.

Molecular Properties

Compound Name2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol
PubChem CID101311656
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol
SMILESCCCCc1cc(C)cc(C(CCC)c2cc(C)cc(CCCC)c2O)c1O
InChIInChI=1S/C26H38O2/c1-6-9-12-20-14-18(4)16-23(25(20)27)22(11-8-3)24-17-19(5)15-21(26(24)28)13-10-7-2/h14-17,22,27-28H,6-13H2,1-5H3
InChIKeySBPMVSRBSQIBLG-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

2-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)disulfanyl]-4-methylphenol
CID 139889373
2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol
CID 20661068
2-butyl-6-(dimethylamino)-4-methylphenol
CID 67848119
2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
2,3-dibutyl-5-methylphenol
CID 151375054
2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol
CID 89220492
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
4-butyl-3,6-dimethylbenzene-1,2-diol
CID 87874831
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)but-3-enyl]-4-methylphenol
CID 58803739
2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol
CID 170673548
2-ethyl-4-methyl-6-propylphenol
CID 66879780

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol?
The IUPAC name of 2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol (CID 101311656) is 2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol.
What is the SMILES notation for 2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol?
The canonical SMILES for 2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol is CCCCc1cc(C)cc(C(CCC)c2cc(C)cc(CCCC)c2O)c1O.
What is the InChIKey of 2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol?
The InChIKey is SBPMVSRBSQIBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-6-9-12-20-14-18(4)16-23(25(20)27)22(11-8-3)24-17-19(5)15-21(26(24)28)13-10-7-2/h14-17,22,27-28H,6-13H2,1-5H3.
What are the key properties of 2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol?
2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-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-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol is sourced from PubChem (CID 101311656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).