2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol

C23H30O2 — CID 139786301

IUPAC2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol
SMILESCC(=Cc1ccc(O)c(C(C)(C)C)c1)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H30O2/c1-15(17-9-11-21(25)19(14-17)23(5,6)7)12-16-8-10-20(24)18(13-16)22(2,3)4/h8-14,24-25H,1-7H3
InChIKeyVFCZNRBZYZXIEL-UHFFFAOYSA-N
MW338.49 g/mol
LogP6.25
Rot. Bonds2

About 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol

2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol (PubChem CID 139786301) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol
PubChem CID139786301
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol
SMILESCC(=Cc1ccc(O)c(C(C)(C)C)c1)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H30O2/c1-15(17-9-11-21(25)19(14-17)23(5,6)7)12-16-8-10-20(24)18(13-16)22(2,3)4/h8-14,24-25H,1-7H3
InChIKeyVFCZNRBZYZXIEL-UHFFFAOYSA-N
XLogP6.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol?
The IUPAC name of 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol (CID 139786301) is 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol.
What is the SMILES notation for 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol?
The canonical SMILES for 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol is CC(=Cc1ccc(O)c(C(C)(C)C)c1)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol?
The InChIKey is VFCZNRBZYZXIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-15(17-9-11-21(25)19(14-17)23(5,6)7)12-16-8-10-20(24)18(13-16)22(2,3)4/h8-14,24-25H,1-7H3.
What are the key properties of 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol?
2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol has a molecular weight of 338.49 g/mol, XLogP of 6.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol is sourced from PubChem (CID 139786301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).