2-methyl-4-nonyl-6-phenylphenol

C22H30O — CID 174342860

IUPAC2-methyl-4-nonyl-6-phenylphenol
SMILESCCCCCCCCCc1cc(C)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C22H30O/c1-3-4-5-6-7-8-10-13-19-16-18(2)22(23)21(17-19)20-14-11-9-12-15-20/h9,11-12,14-17,23H,3-8,10,13H2,1-2H3
InChIKeyGJNDYTUNRFRRIM-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.66
Rot. Bonds9

About 2-methyl-4-nonyl-6-phenylphenol

2-methyl-4-nonyl-6-phenylphenol (PubChem CID 174342860) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-methyl-4-nonyl-6-phenylphenol.

Molecular Properties

Compound Name2-methyl-4-nonyl-6-phenylphenol
PubChem CID174342860
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name2-methyl-4-nonyl-6-phenylphenol
SMILESCCCCCCCCCc1cc(C)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C22H30O/c1-3-4-5-6-7-8-10-13-19-16-18(2)22(23)21(17-19)20-14-11-9-12-15-20/h9,11-12,14-17,23H,3-8,10,13H2,1-2H3
InChIKeyGJNDYTUNRFRRIM-UHFFFAOYSA-N
XLogP6.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.66
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

4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
CID 19003377
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
2-octylazulene
CID 101406191
4-pentyl-2-phenylphenol
CID 154147556
2,6-dimethyl-4-pentylphenol
CID 22625507
2,5-dibutyl-3-phenylphenol
CID 122215941
5-hexyl-2-methyl-3-phenylpyridine
CID 102336326
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
(5-hexyl-2,3-diphenylphenyl)-trimethylsilane
CID 102204410

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nonyl-6-phenylphenol?
The IUPAC name of 2-methyl-4-nonyl-6-phenylphenol (CID 174342860) is 2-methyl-4-nonyl-6-phenylphenol.
What is the SMILES notation for 2-methyl-4-nonyl-6-phenylphenol?
The canonical SMILES for 2-methyl-4-nonyl-6-phenylphenol is CCCCCCCCCc1cc(C)c(O)c(-c2ccccc2)c1.
What is the InChIKey of 2-methyl-4-nonyl-6-phenylphenol?
The InChIKey is GJNDYTUNRFRRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-3-4-5-6-7-8-10-13-19-16-18(2)22(23)21(17-19)20-14-11-9-12-15-20/h9,11-12,14-17,23H,3-8,10,13H2,1-2H3.
What are the key properties of 2-methyl-4-nonyl-6-phenylphenol?
2-methyl-4-nonyl-6-phenylphenol has a molecular weight of 310.48 g/mol, XLogP of 6.66, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nonyl-6-phenylphenol is sourced from PubChem (CID 174342860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).