2-tert-butyl-6-pentadecylphenol

C25H44O — CID 151192860

IUPAC2-tert-butyl-6-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C25H44O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(24(22)26)25(2,3)4/h18,20-21,26H,5-17,19H2,1-4H3
InChIKeyNGRKUVWYLZSPBH-UHFFFAOYSA-N
MW360.63 g/mol
LogP8.32
Rot. Bonds14

About 2-tert-butyl-6-pentadecylphenol

2-tert-butyl-6-pentadecylphenol (PubChem CID 151192860) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-tert-butyl-6-pentadecylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-pentadecylphenol
PubChem CID151192860
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name2-tert-butyl-6-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C25H44O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(24(22)26)25(2,3)4/h18,20-21,26H,5-17,19H2,1-4H3
InChIKeyNGRKUVWYLZSPBH-UHFFFAOYSA-N
XLogP8.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.32
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-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
2,3-ditert-butyl-6-octylphenol
CID 101292747
2-tert-butyl-3-nonylphenol
CID 150872346
4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
CID 117345129
2-methyl-6-undecylphenol
CID 174998801
1,3-ditert-butyl-2-tridecylbenzene
CID 56637291
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride
CID 173357060
2-hydroxy-3-octadecylbenzenesulfonic acid
CID 20563300
2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol
CID 66866652
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-pentadecylphenol?
The IUPAC name of 2-tert-butyl-6-pentadecylphenol (CID 151192860) is 2-tert-butyl-6-pentadecylphenol.
What is the SMILES notation for 2-tert-butyl-6-pentadecylphenol?
The canonical SMILES for 2-tert-butyl-6-pentadecylphenol is CCCCCCCCCCCCCCCc1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-pentadecylphenol?
The InChIKey is NGRKUVWYLZSPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(24(22)26)25(2,3)4/h18,20-21,26H,5-17,19H2,1-4H3.
What are the key properties of 2-tert-butyl-6-pentadecylphenol?
2-tert-butyl-6-pentadecylphenol has a molecular weight of 360.63 g/mol, XLogP of 8.32, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-pentadecylphenol is sourced from PubChem (CID 151192860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).