4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol

C20H26O2 — CID 22947162

IUPAC4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol
SMILESCCCC(c1cc(C)c(O)cc1C)c1cc(C)c(O)cc1C
InChIInChI=1S/C20H26O2/c1-6-7-16(17-8-14(4)19(21)10-12(17)2)18-9-15(5)20(22)11-13(18)3/h8-11,16,21-22H,6-7H2,1-5H3
InChIKeyMPUZVECZRMNNKA-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.26
Rot. Bonds4

About 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol

4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol (PubChem CID 22947162) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol
PubChem CID22947162
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol
SMILESCCCC(c1cc(C)c(O)cc1C)c1cc(C)c(O)cc1C
InChIInChI=1S/C20H26O2/c1-6-7-16(17-8-14(4)19(21)10-12(17)2)18-9-15(5)20(22)11-13(18)3/h8-11,16,21-22H,6-7H2,1-5H3
InChIKeyMPUZVECZRMNNKA-UHFFFAOYSA-N
XLogP5.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol (CID 22947162) is 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol is CCCC(c1cc(C)c(O)cc1C)c1cc(C)c(O)cc1C.
What is the InChIKey of 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol?
The InChIKey is MPUZVECZRMNNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-6-7-16(17-8-14(4)19(21)10-12(17)2)18-9-15(5)20(22)11-13(18)3/h8-11,16,21-22H,6-7H2,1-5H3.
What are the key properties of 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol?
4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol has a molecular weight of 298.43 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol is sourced from PubChem (CID 22947162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).