2-tert-butyl-4-pentylphenol

C15H24O — CID 19933254

IUPAC2-tert-butyl-4-pentylphenol
SMILESCCCCCc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-5-6-7-8-12-9-10-14(16)13(11-12)15(2,3)4/h9-11,16H,5-8H2,1-4H3
InChIKeyCZIXBIHXEPSPNB-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.42
Rot. Bonds4

About 2-tert-butyl-4-pentylphenol

2-tert-butyl-4-pentylphenol (PubChem CID 19933254) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-tert-butyl-4-pentylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-pentylphenol
PubChem CID19933254
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-tert-butyl-4-pentylphenol
SMILESCCCCCc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-5-6-7-8-12-9-10-14(16)13(11-12)15(2,3)4/h9-11,16H,5-8H2,1-4H3
InChIKeyCZIXBIHXEPSPNB-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.42
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-butyl-2,6-ditert-butylphenol;2-tert-butyl-4-dodecylphenol
CID 22360099
2-(2-methylbutan-2-yl)-4-nonylphenol
CID 139606496
2-tert-butyl-4-(3-methylsulfanylpropyl)phenol
CID 130368676
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 19979679
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid;ethane-1,2-diol
CID 174372134
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
2-[(3-tert-butyl-4-hydroxyphenyl)methyl]icosanoic acid
CID 87131617
4-butyl-2,6-ditert-butylphenol
CID 158079570

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-pentylphenol?
The IUPAC name of 2-tert-butyl-4-pentylphenol (CID 19933254) is 2-tert-butyl-4-pentylphenol.
What is the SMILES notation for 2-tert-butyl-4-pentylphenol?
The canonical SMILES for 2-tert-butyl-4-pentylphenol is CCCCCc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-pentylphenol?
The InChIKey is CZIXBIHXEPSPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-6-7-8-12-9-10-14(16)13(11-12)15(2,3)4/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-4-pentylphenol?
2-tert-butyl-4-pentylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-pentylphenol is sourced from PubChem (CID 19933254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).