4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol

C24H34O2 — CID 11602828

IUPAC4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(-c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C24H34O2/c1-13(2)19-9-17(10-20(14(3)4)23(19)25)18-11-21(15(5)6)24(26)22(12-18)16(7)8/h9-16,25-26H,1-8H3
InChIKeyQAISRHCMPQROAX-UHFFFAOYSA-N
MW354.53 g/mol
LogP7.26
Rot. Bonds5

About 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol

4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol (PubChem CID 11602828) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol
PubChem CID11602828
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(-c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C24H34O2/c1-13(2)19-9-17(10-20(14(3)4)23(19)25)18-11-21(15(5)6)24(26)22(12-18)16(7)8/h9-16,25-26H,1-8H3
InChIKeyQAISRHCMPQROAX-UHFFFAOYSA-N
XLogP7.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol (CID 11602828) is 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol is CC(C)c1cc(-c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O.
What is the InChIKey of 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol?
The InChIKey is QAISRHCMPQROAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-13(2)19-9-17(10-20(14(3)4)23(19)25)18-11-21(15(5)6)24(26)22(12-18)16(7)8/h9-16,25-26H,1-8H3.
What are the key properties of 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol?
4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol has a molecular weight of 354.53 g/mol, XLogP of 7.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 11602828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).