4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol

C22H30O2 — CID 174910624

IUPAC4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
SMILESCc1cc(CCCCCCc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C22H30O2/c1-15-11-19(12-16(2)21(15)23)9-7-5-6-8-10-20-13-17(3)22(24)18(4)14-20/h11-14,23-24H,5-10H2,1-4H3
InChIKeyIYTCNPZJXMMXIE-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.68
Rot. Bonds7

About 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol

4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol (PubChem CID 174910624) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
PubChem CID174910624
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
SMILESCc1cc(CCCCCCc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C22H30O2/c1-15-11-19(12-16(2)21(15)23)9-7-5-6-8-10-20-13-17(3)22(24)18(4)14-20/h11-14,23-24H,5-10H2,1-4H3
InChIKeyIYTCNPZJXMMXIE-UHFFFAOYSA-N
XLogP5.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.68
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

2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-pentylphenol
CID 22625507
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930
5-(4-hydroxy-3,5-dimethylphenyl)pentanal
CID 10058811
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
4-(3-dodecylsulfanylpropyl)-2,6-dimethylphenol
CID 91051445
4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
CID 19003377
4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
CID 19003417
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol
CID 67061686

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol?
The IUPAC name of 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol (CID 174910624) is 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol is Cc1cc(CCCCCCc2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol?
The InChIKey is IYTCNPZJXMMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-15-11-19(12-16(2)21(15)23)9-7-5-6-8-10-20-13-17(3)22(24)18(4)14-20/h11-14,23-24H,5-10H2,1-4H3.
What are the key properties of 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol?
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol has a molecular weight of 326.48 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol is sourced from PubChem (CID 174910624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).