4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol

C24H34O2 — CID 135345606

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
SMILESCCCCCCCC(c1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C24H34O2/c1-6-7-8-9-10-11-22(20-12-16(2)23(25)17(3)13-20)21-14-18(4)24(26)19(5)15-21/h12-15,22,25-26H,6-11H2,1-5H3
InChIKeyAQNZKAJEXXBFDT-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.82
Rot. Bonds8

About 4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol

4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol (PubChem CID 135345606) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
PubChem CID135345606
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
SMILESCCCCCCCC(c1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C24H34O2/c1-6-7-8-9-10-11-22(20-12-16(2)23(25)17(3)13-20)21-14-18(4)24(26)19(5)15-21/h12-15,22,25-26H,6-11H2,1-5H3
InChIKeyAQNZKAJEXXBFDT-UHFFFAOYSA-N
XLogP6.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.82
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-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
CID 10460281
4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
CID 15570439
4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
CID 22321255
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
5,5-bis(4-hydroxy-3,5-dimethylphenyl)pentanoic acid
CID 57316955
4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol
CID 139825043
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol
CID 139824888
4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline
CID 174948270
2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
CID 135345596
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)octyl]-6-propan-2-ylphenol
CID 139968357
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol
CID 139824988
2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol
CID 101311632

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol (CID 135345606) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol is CCCCCCCC(c1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol?
The InChIKey is AQNZKAJEXXBFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-6-7-8-9-10-11-22(20-12-16(2)23(25)17(3)13-20)21-14-18(4)24(26)19(5)15-21/h12-15,22,25-26H,6-11H2,1-5H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol?
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol has a molecular weight of 354.53 g/mol, XLogP of 6.82, 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-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol is sourced from PubChem (CID 135345606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).