5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol

C25H30O — CID 70513024

IUPAC5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
SMILESCCCCCCC(C)(C)c1ccc(-c2cccc3ccccc23)c(O)c1
InChIInChI=1S/C25H30O/c1-4-5-6-9-17-25(2,3)20-15-16-23(24(26)18-20)22-14-10-12-19-11-7-8-13-21(19)22/h7-8,10-16,18,26H,4-6,9,17H2,1-3H3
InChIKeyRAKRWOKAJPCUKW-UHFFFAOYSA-N
MW346.51 g/mol
LogP7.46
Rot. Bonds7

About 5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol

5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol (PubChem CID 70513024) has the molecular formula C25H30O and a molecular weight of 346.51 g/mol. Its IUPAC name is 5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol.

Molecular Properties

Compound Name5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
PubChem CID70513024
Molecular FormulaC25H30O
Molecular Weight346.51 g/mol
Exact Mass346.23
IUPAC Name5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
SMILESCCCCCCC(C)(C)c1ccc(-c2cccc3ccccc23)c(O)c1
InChIInChI=1S/C25H30O/c1-4-5-6-9-17-25(2,3)20-15-16-23(24(26)18-20)22-14-10-12-19-11-7-8-13-21(19)22/h7-8,10-16,18,26H,4-6,9,17H2,1-3H3
InChIKeyRAKRWOKAJPCUKW-UHFFFAOYSA-N
XLogP7.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 57.46
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-naphthalen-1-ylphenol?
The IUPAC name of 5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol (CID 70513024) is 5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol.
What is the SMILES notation for 5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol?
The canonical SMILES for 5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol is CCCCCCC(C)(C)c1ccc(-c2cccc3ccccc23)c(O)c1.
What is the InChIKey of 5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol?
The InChIKey is RAKRWOKAJPCUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O/c1-4-5-6-9-17-25(2,3)20-15-16-23(24(26)18-20)22-14-10-12-19-11-7-8-13-21(19)22/h7-8,10-16,18,26H,4-6,9,17H2,1-3H3.
What are the key properties of 5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol?
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol has a molecular weight of 346.51 g/mol, XLogP of 7.46, 7 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-naphthalen-1-ylphenol is sourced from PubChem (CID 70513024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).