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

C26H36O2 — CID 20627309

IUPAC2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(c2cc(C)cc(C)c2O)C2(C)CCCCCCC2)c1
InChIInChI=1S/C26H36O2/c1-17-13-19(3)24(27)21(15-17)23(22-16-18(2)14-20(4)25(22)28)26(5)11-9-7-6-8-10-12-26/h13-16,23,27-28H,6-12H2,1-5H3
InChIKeyXFHPDNKODGNQCG-UHFFFAOYSA-N
MW380.57 g/mol
LogP7.21
Rot. Bonds3

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

2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol (PubChem CID 20627309) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol
PubChem CID20627309
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Name2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(c2cc(C)cc(C)c2O)C2(C)CCCCCCC2)c1
InChIInChI=1S/C26H36O2/c1-17-13-19(3)24(27)21(15-17)23(22-16-18(2)14-20(4)25(22)28)26(5)11-9-7-6-8-10-12-26/h13-16,23,27-28H,6-12H2,1-5H3
InChIKeyXFHPDNKODGNQCG-UHFFFAOYSA-N
XLogP7.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol (CID 20627309) is 2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(c2cc(C)cc(C)c2O)C2(C)CCCCCCC2)c1.
What is the InChIKey of 2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol?
The InChIKey is XFHPDNKODGNQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2/c1-17-13-19(3)24(27)21(15-17)23(22-16-18(2)14-20(4)25(22)28)26(5)11-9-7-6-8-10-12-26/h13-16,23,27-28H,6-12H2,1-5H3.
What are the key properties of 2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol?
2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol has a molecular weight of 380.57 g/mol, XLogP of 7.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol is sourced from PubChem (CID 20627309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).