4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol

C22H34O — CID 58223831

IUPAC4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol
SMILESCCC(C)(C)c1cc(C=C(C)C)c(O)c(C2CCCCC2C)c1
InChIInChI=1S/C22H34O/c1-7-22(5,6)18-13-17(12-15(2)3)21(23)20(14-18)19-11-9-8-10-16(19)4/h12-14,16,19,23H,7-11H2,1-6H3
InChIKeyICKQIYGLSUPXSA-UHFFFAOYSA-N
MW314.51 g/mol
LogP6.80
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol

4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol (PubChem CID 58223831) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol
PubChem CID58223831
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol
SMILESCCC(C)(C)c1cc(C=C(C)C)c(O)c(C2CCCCC2C)c1
InChIInChI=1S/C22H34O/c1-7-22(5,6)18-13-17(12-15(2)3)21(23)20(14-18)19-11-9-8-10-16(19)4/h12-14,16,19,23H,7-11H2,1-6H3
InChIKeyICKQIYGLSUPXSA-UHFFFAOYSA-N
XLogP6.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol (CID 58223831) is 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol is CCC(C)(C)c1cc(C=C(C)C)c(O)c(C2CCCCC2C)c1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol?
The InChIKey is ICKQIYGLSUPXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-7-22(5,6)18-13-17(12-15(2)3)21(23)20(14-18)19-11-9-8-10-16(19)4/h12-14,16,19,23H,7-11H2,1-6H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol?
4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol has a molecular weight of 314.51 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol is sourced from PubChem (CID 58223831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).