2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol

C19H30O — CID 23325923

IUPAC2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol
SMILESCC(C)c1ccc(C2CCCCC2)c(C(C)(C)C)c1O
InChIInChI=1S/C19H30O/c1-13(2)15-11-12-16(14-9-7-6-8-10-14)17(18(15)20)19(3,4)5/h11-14,20H,6-10H2,1-5H3
InChIKeyPMPQDJIUTLNWQS-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.86
Rot. Bonds2

About 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol

2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol (PubChem CID 23325923) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol
PubChem CID23325923
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol
SMILESCC(C)c1ccc(C2CCCCC2)c(C(C)(C)C)c1O
InChIInChI=1S/C19H30O/c1-13(2)15-11-12-16(14-9-7-6-8-10-14)17(18(15)20)19(3,4)5/h11-14,20H,6-10H2,1-5H3
InChIKeyPMPQDJIUTLNWQS-UHFFFAOYSA-N
XLogP5.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol?
The IUPAC name of 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol (CID 23325923) is 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol?
The canonical SMILES for 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol is CC(C)c1ccc(C2CCCCC2)c(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol?
The InChIKey is PMPQDJIUTLNWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-13(2)15-11-12-16(14-9-7-6-8-10-14)17(18(15)20)19(3,4)5/h11-14,20H,6-10H2,1-5H3.
What are the key properties of 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol?
2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol has a molecular weight of 274.45 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol is sourced from PubChem (CID 23325923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).