4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol

C22H30O2 — CID 22321255

IUPAC4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
SMILESCCCCCCCC(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C22H30O2/c1-4-5-6-7-8-9-20(18-10-12-21(23)16(2)14-18)19-11-13-22(24)17(3)15-19/h10-15,20,23-24H,4-9H2,1-3H3
InChIKeyNRXJCVQFDDAWDC-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.21
Rot. Bonds8

About 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol

4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol (PubChem CID 22321255) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
PubChem CID22321255
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
SMILESCCCCCCCC(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C22H30O2/c1-4-5-6-7-8-9-20(18-10-12-21(23)16(2)14-18)19-11-13-22(24)17(3)15-19/h10-15,20,23-24H,4-9H2,1-3H3
InChIKeyNRXJCVQFDDAWDC-UHFFFAOYSA-N
XLogP6.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.21
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

4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol
CID 172551030
4-[1-(4-hydroxy-3-nonylphenyl)nonyl]-2-nonylphenol
CID 135345643
4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline
CID 174948270
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
2-(1-dodecylsulfanyldodecyl)-4-[1-(4-hydroxyphenyl)dodecyl]phenol
CID 155658154
2-methyl-4-octadecylphenol
CID 3022311
2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
CID 10460281
4-[1-(4-carboxyphenyl)octyl]benzoic acid
CID 22642355
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)undecyl]phenyl]hexyl]phenyl]undecyl]-3-methylaniline
CID 22919040

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol (CID 22321255) is 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol is CCCCCCCC(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol?
The InChIKey is NRXJCVQFDDAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-4-5-6-7-8-9-20(18-10-12-21(23)16(2)14-18)19-11-13-22(24)17(3)15-19/h10-15,20,23-24H,4-9H2,1-3H3.
What are the key properties of 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol?
4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol has a molecular weight of 326.48 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol is sourced from PubChem (CID 22321255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).