2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol

C31H44O2 — CID 87985797

IUPAC2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol
SMILESCCC(c1cc(C)cc(C2(C)CCCCC2)c1O)c1cc(C)cc(C2(C)CCCCC2)c1O
InChIInChI=1S/C31H44O2/c1-6-23(24-17-21(2)19-26(28(24)32)30(4)13-9-7-10-14-30)25-18-22(3)20-27(29(25)33)31(5)15-11-8-12-16-31/h17-20,23,32-33H,6-16H2,1-5H3
InChIKeyPIOOXHQEKXUFLS-UHFFFAOYSA-N
MW448.69 g/mol
LogP8.70
Rot. Bonds5

About 2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol

2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol (PubChem CID 87985797) has the molecular formula C31H44O2 and a molecular weight of 448.69 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol.

Molecular Properties

Compound Name2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol
PubChem CID87985797
Molecular FormulaC31H44O2
Molecular Weight448.69 g/mol
Exact Mass448.33
IUPAC Name2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol
SMILESCCC(c1cc(C)cc(C2(C)CCCCC2)c1O)c1cc(C)cc(C2(C)CCCCC2)c1O
InChIInChI=1S/C31H44O2/c1-6-23(24-17-21(2)19-26(28(24)32)30(4)13-9-7-10-14-30)25-18-22(3)20-27(29(25)33)31(5)15-11-8-12-16-31/h17-20,23,32-33H,6-16H2,1-5H3
InChIKeyPIOOXHQEKXUFLS-UHFFFAOYSA-N
XLogP8.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 58.70
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-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol?
The IUPAC name of 2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol (CID 87985797) is 2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol.
What is the SMILES notation for 2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol?
The canonical SMILES for 2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol is CCC(c1cc(C)cc(C2(C)CCCCC2)c1O)c1cc(C)cc(C2(C)CCCCC2)c1O.
What is the InChIKey of 2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol?
The InChIKey is PIOOXHQEKXUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44O2/c1-6-23(24-17-21(2)19-26(28(24)32)30(4)13-9-7-10-14-30)25-18-22(3)20-27(29(25)33)31(5)15-11-8-12-16-31/h17-20,23,32-33H,6-16H2,1-5H3.
What are the key properties of 2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol?
2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol has a molecular weight of 448.69 g/mol, XLogP of 8.70, 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-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol is sourced from PubChem (CID 87985797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).