2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol

C22H34O — CID 3022568

IUPAC2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol
SMILESCc1cc(C(C)C)c(C2CCCCC2)c(O)c1C1CCCCC1
InChIInChI=1S/C22H34O/c1-15(2)19-14-16(3)20(17-10-6-4-7-11-17)22(23)21(19)18-12-8-5-9-13-18/h14-15,17-18,23H,4-13H2,1-3H3
InChIKeyLAGFOZUICLZQFM-UHFFFAOYSA-N
MW314.51 g/mol
LogP6.92
Rot. Bonds3

About 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol

2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol (PubChem CID 3022568) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol
PubChem CID3022568
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol
SMILESCc1cc(C(C)C)c(C2CCCCC2)c(O)c1C1CCCCC1
InChIInChI=1S/C22H34O/c1-15(2)19-14-16(3)20(17-10-6-4-7-11-17)22(23)21(19)18-12-8-5-9-13-18/h14-15,17-18,23H,4-13H2,1-3H3
InChIKeyLAGFOZUICLZQFM-UHFFFAOYSA-N
XLogP6.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol?
The IUPAC name of 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol (CID 3022568) is 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol?
The canonical SMILES for 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol is Cc1cc(C(C)C)c(C2CCCCC2)c(O)c1C1CCCCC1.
What is the InChIKey of 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol?
The InChIKey is LAGFOZUICLZQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-15(2)19-14-16(3)20(17-10-6-4-7-11-17)22(23)21(19)18-12-8-5-9-13-18/h14-15,17-18,23H,4-13H2,1-3H3.
What are the key properties of 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol?
2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol has a molecular weight of 314.51 g/mol, XLogP of 6.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 3022568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).