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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Related Compounds

4-[2-(4-hydroxyphenyl)propan-2-yl]-2-propan-2-ylphenol
CID 18943218
4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
CID 58904157
4-tert-butyl-2-propan-2-ylphenol;formaldehyde
CID 174874962
[5-[2-[4-[1,1-bis[3-(dihydroxymethyl)-4-hydroxyphenyl]ethyl]phenyl]propan-2-yl]-2-hydroxyphenyl]methanediol
CID 69108103
4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]-2,2-dimethylpropyl]benzaldehyde
CID 145403608
2-propan-2-yl-4-[2-(3-propan-2-yl-4-sulfanylphenyl)propan-2-yl]benzenethiol
CID 155658153
4-[2-(4-hydroxy-3-phenylphenyl)-5,5-bis(4-hydroxy-3-propan-2-ylphenyl)hexan-2-yl]-2-phenylphenol
CID 135160125
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(1-phenylethyl)phenol
CID 71400293
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117318683
4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
CID 67779766
4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol
CID 19352790

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).