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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Related Compounds

1-ethyl-3-[[2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]phenyl]methyl]urea
CID 11596397
2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol
CID 142867085
5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
CID 135505763
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
CID 174529240
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
CID 15571562
bis(2-[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-4-(2-methylheptan-2-yl)phenol);nickel
CID 87330010
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
heptane;phenanthrene
CID 157482146
2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol
CID 23846555
2-[(1R,3R)-3-hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol
CID 12788232
2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyldodecan-2-yl)phenol
CID 12788261

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).