5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol

C25H36O — CID 10713019

IUPAC5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol
SMILESCCCCCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1
InChIInChI=1S/C25H36O/c1-7-8-9-10-15-25(5,6)20-12-14-22(24(26)17-20)23-16-19(4)11-13-21(23)18(2)3/h11-14,16-18,26H,7-10,15H2,1-6H3
InChIKeyYQFRRDSIYIWKEE-UHFFFAOYSA-N
MW352.56 g/mol
LogP7.74
Rot. Bonds8

About 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol

5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol (PubChem CID 10713019) has the molecular formula C25H36O and a molecular weight of 352.56 g/mol. Its IUPAC name is 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol.

Molecular Properties

Compound Name5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol
PubChem CID10713019
Molecular FormulaC25H36O
Molecular Weight352.56 g/mol
Exact Mass352.28
IUPAC Name5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol
SMILESCCCCCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1
InChIInChI=1S/C25H36O/c1-7-8-9-10-15-25(5,6)20-12-14-22(24(26)17-20)23-16-19(4)11-13-21(23)18(2)3/h11-14,16-18,26H,7-10,15H2,1-6H3
InChIKeyYQFRRDSIYIWKEE-UHFFFAOYSA-N
XLogP7.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol?
The IUPAC name of 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol (CID 10713019) is 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol.
What is the SMILES notation for 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol?
The canonical SMILES for 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol is CCCCCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1.
What is the InChIKey of 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol?
The InChIKey is YQFRRDSIYIWKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O/c1-7-8-9-10-15-25(5,6)20-12-14-22(24(26)17-20)23-16-19(4)11-13-21(23)18(2)3/h11-14,16-18,26H,7-10,15H2,1-6H3.
What are the key properties of 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol?
5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol has a molecular weight of 352.56 g/mol, XLogP of 7.74, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyloctan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol is sourced from PubChem (CID 10713019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).