2,4-dimethyl-5-pentadecylphenol

C23H40O — CID 166008290

IUPAC2,4-dimethyl-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1cc(O)c(C)cc1C
InChIInChI=1S/C23H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-23(24)21(3)18-20(22)2/h18-19,24H,4-17H2,1-3H3
InChIKeyXHGPFFGATROBOO-UHFFFAOYSA-N
MW332.57 g/mol
LogP7.64
Rot. Bonds14

About 2,4-dimethyl-5-pentadecylphenol

2,4-dimethyl-5-pentadecylphenol (PubChem CID 166008290) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 2,4-dimethyl-5-pentadecylphenol.

Molecular Properties

Compound Name2,4-dimethyl-5-pentadecylphenol
PubChem CID166008290
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name2,4-dimethyl-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1cc(O)c(C)cc1C
InChIInChI=1S/C23H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-23(24)21(3)18-20(22)2/h18-19,24H,4-17H2,1-3H3
InChIKeyXHGPFFGATROBOO-UHFFFAOYSA-N
XLogP7.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.64
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-didecylbenzene-1,2-diol
CID 15667809
2-amino-5-methyl-4-nonylphenol
CID 139643471
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
2,3,4,5-tetradodecylphenol
CID 21465809
3-methyl-4-octylphenol
CID 67863636
5-butyl-4-fluoro-2-methylphenol
CID 118092181
2,3,5-triheptylbenzene-1,4-diol
CID 139946372
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381
2-ethyl-4-methyl-6-octylbenzene-1,3-diol
CID 154087783
2-hexadec-2-enyl-5-methylbenzene-1,4-diol
CID 67844524
2-methyl-4-octadecylphenol
CID 3022311
2-methyl-6-undecylphenol
CID 174998801

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-pentadecylphenol?
The IUPAC name of 2,4-dimethyl-5-pentadecylphenol (CID 166008290) is 2,4-dimethyl-5-pentadecylphenol.
What is the SMILES notation for 2,4-dimethyl-5-pentadecylphenol?
The canonical SMILES for 2,4-dimethyl-5-pentadecylphenol is CCCCCCCCCCCCCCCc1cc(O)c(C)cc1C.
What is the InChIKey of 2,4-dimethyl-5-pentadecylphenol?
The InChIKey is XHGPFFGATROBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-23(24)21(3)18-20(22)2/h18-19,24H,4-17H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-pentadecylphenol?
2,4-dimethyl-5-pentadecylphenol has a molecular weight of 332.57 g/mol, XLogP of 7.64, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-pentadecylphenol is sourced from PubChem (CID 166008290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).