2-methyl-3-pentadec-1-enylphenol

C22H36O — CID 69052424

IUPAC2-methyl-3-pentadec-1-enylphenol
SMILESCCCCCCCCCCCCCC=Cc1cccc(O)c1C
InChIInChI=1S/C22H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(23)20(21)2/h15-19,23H,3-14H2,1-2H3
InChIKeyAVQBZSHXEOABJZ-UHFFFAOYSA-N
MW316.53 g/mol
LogP7.41
Rot. Bonds13

About 2-methyl-3-pentadec-1-enylphenol

2-methyl-3-pentadec-1-enylphenol (PubChem CID 69052424) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is 2-methyl-3-pentadec-1-enylphenol.

Molecular Properties

Compound Name2-methyl-3-pentadec-1-enylphenol
PubChem CID69052424
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name2-methyl-3-pentadec-1-enylphenol
SMILESCCCCCCCCCCCCCC=Cc1cccc(O)c1C
InChIInChI=1S/C22H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(23)20(21)2/h15-19,23H,3-14H2,1-2H3
InChIKeyAVQBZSHXEOABJZ-UHFFFAOYSA-N
XLogP7.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 57.41
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

3-hept-1-enyl-2-methylphenol
CID 140713587
acetylene;2-methyl-3-[(E)-non-1-enyl]phenol
CID 142088594
3-dec-1-enylbenzene-1,2-diol
CID 139606028
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
3-dec-1-enyl-2-(2-hydroxyphenyl)phenol
CID 139606032
3-dodec-1-enyl-2-(2-hydroxyphenyl)phenol
CID 139606033
3-(4-chlorobut-1-enyl)-2-methylphenol
CID 154254910
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentadec-1-enylphenol?
The IUPAC name of 2-methyl-3-pentadec-1-enylphenol (CID 69052424) is 2-methyl-3-pentadec-1-enylphenol.
What is the SMILES notation for 2-methyl-3-pentadec-1-enylphenol?
The canonical SMILES for 2-methyl-3-pentadec-1-enylphenol is CCCCCCCCCCCCCC=Cc1cccc(O)c1C.
What is the InChIKey of 2-methyl-3-pentadec-1-enylphenol?
The InChIKey is AVQBZSHXEOABJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(23)20(21)2/h15-19,23H,3-14H2,1-2H3.
What are the key properties of 2-methyl-3-pentadec-1-enylphenol?
2-methyl-3-pentadec-1-enylphenol has a molecular weight of 316.53 g/mol, XLogP of 7.41, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentadec-1-enylphenol is sourced from PubChem (CID 69052424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).