2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol

C17H26O — CID 113490168

IUPAC2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol
SMILESCC(C)(C)c1ccc(C(C)(O)CC2CCC2)cc1
InChIInChI=1S/C17H26O/c1-16(2,3)14-8-10-15(11-9-14)17(4,18)12-13-6-5-7-13/h8-11,13,18H,5-7,12H2,1-4H3
InChIKeyWFKXDOGXCNRLLX-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.38
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol

2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol (PubChem CID 113490168) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol
PubChem CID113490168
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol
SMILESCC(C)(C)c1ccc(C(C)(O)CC2CCC2)cc1
InChIInChI=1S/C17H26O/c1-16(2,3)14-8-10-15(11-9-14)17(4,18)12-13-6-5-7-13/h8-11,13,18H,5-7,12H2,1-4H3
InChIKeyWFKXDOGXCNRLLX-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol (CID 113490168) is 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol is CC(C)(C)c1ccc(C(C)(O)CC2CCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol?
The InChIKey is WFKXDOGXCNRLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-16(2,3)14-8-10-15(11-9-14)17(4,18)12-13-6-5-7-13/h8-11,13,18H,5-7,12H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol?
2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol is sourced from PubChem (CID 113490168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).