2-(2-methylbutan-2-yl)-4-nonylphenol

C20H34O — CID 139606496

IUPAC2-(2-methylbutan-2-yl)-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(C(C)(C)CC)c1
InChIInChI=1S/C20H34O/c1-5-7-8-9-10-11-12-13-17-14-15-19(21)18(16-17)20(3,4)6-2/h14-16,21H,5-13H2,1-4H3
InChIKeyMIZKMJRKLHLQHA-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.37
Rot. Bonds10

About 2-(2-methylbutan-2-yl)-4-nonylphenol

2-(2-methylbutan-2-yl)-4-nonylphenol (PubChem CID 139606496) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-4-nonylphenol.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-4-nonylphenol
PubChem CID139606496
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2-(2-methylbutan-2-yl)-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(C(C)(C)CC)c1
InChIInChI=1S/C20H34O/c1-5-7-8-9-10-11-12-13-17-14-15-19(21)18(16-17)20(3,4)6-2/h14-16,21H,5-13H2,1-4H3
InChIKeyMIZKMJRKLHLQHA-UHFFFAOYSA-N
XLogP6.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.37
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

2-tert-butyl-4-pentylphenol
CID 19933254
4-butyl-2,6-ditert-butylphenol;2-tert-butyl-4-dodecylphenol
CID 22360099
2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol
CID 160837498
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
CID 19003417
2-ethyl-4-heptylphenol
CID 58289223
4-hexylphenol;4-(2-methylbutan-2-yl)phenol
CID 70208179
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734658
4-hexyl-2-propan-2-ylphenol
CID 154277952
2-[(2-hydroxy-5-octadecylphenyl)disulfanyl]-4-octadecylphenol
CID 71319393
tetradecyl 3-[4-hydroxy-3-(2-methylpentan-2-yl)phenyl]propanoate
CID 174774629

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-4-nonylphenol?
The IUPAC name of 2-(2-methylbutan-2-yl)-4-nonylphenol (CID 139606496) is 2-(2-methylbutan-2-yl)-4-nonylphenol.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-4-nonylphenol?
The canonical SMILES for 2-(2-methylbutan-2-yl)-4-nonylphenol is CCCCCCCCCc1ccc(O)c(C(C)(C)CC)c1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-4-nonylphenol?
The InChIKey is MIZKMJRKLHLQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-5-7-8-9-10-11-12-13-17-14-15-19(21)18(16-17)20(3,4)6-2/h14-16,21H,5-13H2,1-4H3.
What are the key properties of 2-(2-methylbutan-2-yl)-4-nonylphenol?
2-(2-methylbutan-2-yl)-4-nonylphenol has a molecular weight of 290.49 g/mol, XLogP of 6.37, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-4-nonylphenol is sourced from PubChem (CID 139606496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).