3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol

C17H26O — CID 83151038

IUPAC3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCC(C)(C)c1ccc(CC(C)(CO)C2CC2)cc1
InChIInChI=1S/C17H26O/c1-16(2,3)14-7-5-13(6-8-14)11-17(4,12-18)15-9-10-15/h5-8,15,18H,9-12H2,1-4H3
InChIKeyLSGOYKKGZXXAIS-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.94
Rot. Bonds4

About 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol

3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol (PubChem CID 83151038) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol
PubChem CID83151038
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCC(C)(C)c1ccc(CC(C)(CO)C2CC2)cc1
InChIInChI=1S/C17H26O/c1-16(2,3)14-7-5-13(6-8-14)11-17(4,12-18)15-9-10-15/h5-8,15,18H,9-12H2,1-4H3
InChIKeyLSGOYKKGZXXAIS-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The IUPAC name of 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol (CID 83151038) is 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol is CC(C)(C)c1ccc(CC(C)(CO)C2CC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The InChIKey is LSGOYKKGZXXAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-16(2,3)14-7-5-13(6-8-14)11-17(4,12-18)15-9-10-15/h5-8,15,18H,9-12H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol is sourced from PubChem (CID 83151038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).