4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane

C24H36O2 — CID 160951068

IUPAC4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
SMILESCC(C)c1cc(C(C)(C)c2ccc(O)c(C(C)C)c2)ccc1O.CCC
InChIInChI=1S/C21H28O2.C3H8/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4;1-3-2/h7-14,22-23H,1-6H3;3H2,1-2H3
InChIKeySVTNZRXTWYZAMU-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.09
Rot. Bonds4

About 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane

4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane (PubChem CID 160951068) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
PubChem CID160951068
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
SMILESCC(C)c1cc(C(C)(C)c2ccc(O)c(C(C)C)c2)ccc1O.CCC
InChIInChI=1S/C21H28O2.C3H8/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4;1-3-2/h7-14,22-23H,1-6H3;3H2,1-2H3
InChIKeySVTNZRXTWYZAMU-UHFFFAOYSA-N
XLogP7.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane?
The IUPAC name of 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane (CID 160951068) is 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane.
What is the SMILES notation for 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane?
The canonical SMILES for 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane is CC(C)c1cc(C(C)(C)c2ccc(O)c(C(C)C)c2)ccc1O.CCC.
What is the InChIKey of 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane?
The InChIKey is SVTNZRXTWYZAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2.C3H8/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4;1-3-2/h7-14,22-23H,1-6H3;3H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane?
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane has a molecular weight of 356.55 g/mol, XLogP of 7.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane is sourced from PubChem (CID 160951068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).