2-methyl-4-octadecylphenol

C25H44O — CID 3022311

IUPAC2-methyl-4-octadecylphenol
SMILESCCCCCCCCCCCCCCCCCCc1ccc(O)c(C)c1
InChIInChI=1S/C25H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21-25(26)23(2)22-24/h20-22,26H,3-19H2,1-2H3
InChIKeyYZNQWZJMXAWHAO-UHFFFAOYSA-N
MW360.63 g/mol
LogP8.50
Rot. Bonds17

About 2-methyl-4-octadecylphenol

2-methyl-4-octadecylphenol (PubChem CID 3022311) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-methyl-4-octadecylphenol.

Molecular Properties

Compound Name2-methyl-4-octadecylphenol
PubChem CID3022311
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name2-methyl-4-octadecylphenol
SMILESCCCCCCCCCCCCCCCCCCc1ccc(O)c(C)c1
InChIInChI=1S/C25H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21-25(26)23(2)22-24/h20-22,26H,3-19H2,1-2H3
InChIKeyYZNQWZJMXAWHAO-UHFFFAOYSA-N
XLogP8.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.50
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-methylphenol
CID 10964856
methane;2-methyl-4-nonylphenol;prop-2-ene-1-thiol
CID 174442186
4-dodecyl-2-methylphenol;2-ethyl-5-methylphenol
CID 90733756
CID 175900742
CID 175900742
1,2-dimethyl-4-octylbenzene
CID 14044616
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
4-butyl-2-methylphenol;methyl dihydrogen phosphite
CID 174305201
4-nonyl-2-pentylphenol
CID 86162849
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
2-methyl-4-(6-methylheptyl)phenol
CID 154140199
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-octadecylphenol?
The IUPAC name of 2-methyl-4-octadecylphenol (CID 3022311) is 2-methyl-4-octadecylphenol.
What is the SMILES notation for 2-methyl-4-octadecylphenol?
The canonical SMILES for 2-methyl-4-octadecylphenol is CCCCCCCCCCCCCCCCCCc1ccc(O)c(C)c1.
What is the InChIKey of 2-methyl-4-octadecylphenol?
The InChIKey is YZNQWZJMXAWHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21-25(26)23(2)22-24/h20-22,26H,3-19H2,1-2H3.
What are the key properties of 2-methyl-4-octadecylphenol?
2-methyl-4-octadecylphenol has a molecular weight of 360.63 g/mol, XLogP of 8.50, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-octadecylphenol is sourced from PubChem (CID 3022311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).