2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol

C25H36O2 — CID 135345596

IUPAC2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
SMILESCCCCCCCCCCC(c1cccc(C)c1O)c1cccc(C)c1O
InChIInChI=1S/C25H36O2/c1-4-5-6-7-8-9-10-11-16-21(22-17-12-14-19(2)24(22)26)23-18-13-15-20(3)25(23)27/h12-15,17-18,21,26-27H,4-11,16H2,1-3H3
InChIKeyYTFCFDUYAVTLLZ-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.38
Rot. Bonds11

About 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol

2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol (PubChem CID 135345596) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
PubChem CID135345596
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
SMILESCCCCCCCCCCC(c1cccc(C)c1O)c1cccc(C)c1O
InChIInChI=1S/C25H36O2/c1-4-5-6-7-8-9-10-11-16-21(22-17-12-14-19(2)24(22)26)23-18-13-15-20(3)25(23)27/h12-15,17-18,21,26-27H,4-11,16H2,1-3H3
InChIKeyYTFCFDUYAVTLLZ-UHFFFAOYSA-N
XLogP7.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
CID 167458062
2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol
CID 15123945
1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol
CID 19870927
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
2-methyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309517
1-(2-iodo-3-methylphenyl)octan-1-amine
CID 114030076
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
2-(1-phenylnonyl)phenol
CID 67177643
2-methyl-6-(2-methylhexan-3-yl)phenol
CID 69129229
3-undecan-2-ylbenzene-1,2-diol
CID 139758320

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol?
The IUPAC name of 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol (CID 135345596) is 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol.
What is the SMILES notation for 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol?
The canonical SMILES for 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol is CCCCCCCCCCC(c1cccc(C)c1O)c1cccc(C)c1O.
What is the InChIKey of 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol?
The InChIKey is YTFCFDUYAVTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-4-5-6-7-8-9-10-11-16-21(22-17-12-14-19(2)24(22)26)23-18-13-15-20(3)25(23)27/h12-15,17-18,21,26-27H,4-11,16H2,1-3H3.
What are the key properties of 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol?
2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol has a molecular weight of 368.56 g/mol, XLogP of 7.38, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol is sourced from PubChem (CID 135345596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).