2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol

C24H34O2 — CID 20644074

IUPAC2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(CC(C)CC(C)(C)C)c2cccc(C)c2O)c1
InChIInChI=1S/C24H34O2/c1-15-11-18(4)23(26)21(12-15)20(13-16(2)14-24(5,6)7)19-10-8-9-17(3)22(19)25/h8-12,16,20,25-26H,13-14H2,1-7H3
InChIKeyOVIJQGJOKVOZKX-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.62
Rot. Bonds5

About 2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol

2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol (PubChem CID 20644074) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol
PubChem CID20644074
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(CC(C)CC(C)(C)C)c2cccc(C)c2O)c1
InChIInChI=1S/C24H34O2/c1-15-11-18(4)23(26)21(12-15)20(13-16(2)14-24(5,6)7)19-10-8-9-17(3)22(19)25/h8-12,16,20,25-26H,13-14H2,1-7H3
InChIKeyOVIJQGJOKVOZKX-UHFFFAOYSA-N
XLogP6.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol?
The IUPAC name of 2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol (CID 20644074) is 2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(CC(C)CC(C)(C)C)c2cccc(C)c2O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol?
The InChIKey is OVIJQGJOKVOZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-15-11-18(4)23(26)21(12-15)20(13-16(2)14-24(5,6)7)19-10-8-9-17(3)22(19)25/h8-12,16,20,25-26H,13-14H2,1-7H3.
What are the key properties of 2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol?
2-[1-(2-hydroxy-3-methylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol has a molecular weight of 354.53 g/mol, XLogP of 6.62, 5 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)-3,5,5-trimethylhexyl]-4,6-dimethylphenol is sourced from PubChem (CID 20644074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).