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

C24H26O2 — CID 151017261

IUPAC5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol
SMILESCCCCc1cc(O)c(C)cc1-c1cccc(-c2ccc(O)c(C)c2)c1
InChIInChI=1S/C24H26O2/c1-4-5-7-21-15-24(26)17(3)13-22(21)20-9-6-8-18(14-20)19-10-11-23(25)16(2)12-19/h6,8-15,25-26H,4-5,7H2,1-3H3
InChIKeyLXINODJHXCOMBJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.39
Rot. Bonds5

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

5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol (PubChem CID 151017261) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol.

Molecular Properties

Compound Name5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol
PubChem CID151017261
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol
SMILESCCCCc1cc(O)c(C)cc1-c1cccc(-c2ccc(O)c(C)c2)c1
InChIInChI=1S/C24H26O2/c1-4-5-7-21-15-24(26)17(3)13-22(21)20-9-6-8-18(14-20)19-10-11-23(25)16(2)12-19/h6,8-15,25-26H,4-5,7H2,1-3H3
InChIKeyLXINODJHXCOMBJ-UHFFFAOYSA-N
XLogP6.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol?
The IUPAC name of 5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol (CID 151017261) is 5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol.
What is the SMILES notation for 5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol?
The canonical SMILES for 5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol is CCCCc1cc(O)c(C)cc1-c1cccc(-c2ccc(O)c(C)c2)c1.
What is the InChIKey of 5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol?
The InChIKey is LXINODJHXCOMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-4-5-7-21-15-24(26)17(3)13-22(21)20-9-6-8-18(14-20)19-10-11-23(25)16(2)12-19/h6,8-15,25-26H,4-5,7H2,1-3H3.
What are the key properties of 5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol?
5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol has a molecular weight of 346.47 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-[3-(4-hydroxy-3-methylphenyl)phenyl]-2-methylphenol is sourced from PubChem (CID 151017261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).