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

C21H28O2 — CID 58904157

IUPAC4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
SMILESCC(C)c1cc(C(C)(C)c2ccc(O)cc2C(C)C)ccc1O
InChIInChI=1S/C21H28O2/c1-13(2)17-12-16(22)8-9-19(17)21(5,6)15-7-10-20(23)18(11-15)14(3)4/h7-14,22-23H,1-6H3
InChIKeyJCOZVIBOTYDCFF-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.67
Rot. Bonds4

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

4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol (PubChem CID 58904157) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
PubChem CID58904157
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
SMILESCC(C)c1cc(C(C)(C)c2ccc(O)cc2C(C)C)ccc1O
InChIInChI=1S/C21H28O2/c1-13(2)17-12-16(22)8-9-19(17)21(5,6)15-7-10-20(23)18(11-15)14(3)4/h7-14,22-23H,1-6H3
InChIKeyJCOZVIBOTYDCFF-UHFFFAOYSA-N
XLogP5.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.67
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-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
4-tert-butyl-2-propan-2-ylphenol;formaldehyde
CID 174874962
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol
CID 139838635
4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol
CID 139772711
4-[2-(4-hydroxynaphthalen-1-yl)-5,5-bis(4-hydroxy-2-propan-2-ylphenyl)hexan-2-yl]naphthalen-1-ol
CID 70514637
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(1-phenylethyl)phenol
CID 71400293
4-[3-(2,4-dihydroxyphenyl)-2,2-bis(4-hydroxyphenyl)-6,6-bis(4-hydroxy-2-propan-2-ylphenyl)heptan-3-yl]benzene-1,3-diol
CID 70121735
[5-[2-[4-[1,1-bis[3-(dihydroxymethyl)-4-hydroxyphenyl]ethyl]phenyl]propan-2-yl]-2-hydroxyphenyl]methanediol
CID 69108103
2,5-dihydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 586439
4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol
CID 3127935

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol?
The IUPAC name of 4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol (CID 58904157) is 4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol is CC(C)c1cc(C(C)(C)c2ccc(O)cc2C(C)C)ccc1O.
What is the InChIKey of 4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol?
The InChIKey is JCOZVIBOTYDCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-13(2)17-12-16(22)8-9-19(17)21(5,6)15-7-10-20(23)18(11-15)14(3)4/h7-14,22-23H,1-6H3.
What are the key properties of 4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol?
4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol has a molecular weight of 312.45 g/mol, XLogP of 5.67, 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-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol is sourced from PubChem (CID 58904157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).