4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol

C24H32O2 — CID 15322598

IUPAC4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
SMILESC=C(Cc1cc(C(C)(C)C)ccc1O)Cc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C24H32O2/c1-16(12-17-14-19(23(2,3)4)8-10-21(17)25)13-18-15-20(24(5,6)7)9-11-22(18)26/h8-11,14-15,25-26H,1,12-13H2,2-7H3
InChIKeyPYSLTXUSJKPQQR-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.03
Rot. Bonds4

About 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol

4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol (PubChem CID 15322598) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
PubChem CID15322598
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
SMILESC=C(Cc1cc(C(C)(C)C)ccc1O)Cc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C24H32O2/c1-16(12-17-14-19(23(2,3)4)8-10-21(17)25)13-18-15-20(24(5,6)7)9-11-22(18)26/h8-11,14-15,25-26H,1,12-13H2,2-7H3
InChIKeyPYSLTXUSJKPQQR-UHFFFAOYSA-N
XLogP6.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-methylpropyl)-4-tert-butylphenol
CID 117317076
4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
4-tert-butyl-2-[[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1098143
2-[(2-aminoethylamino)methyl]-4-tert-butylphenol
CID 12761847
4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 150183157
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
2-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-[[3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
CID 68895070
2-(aminomethyl)-4-(2-phenylpropan-2-yl)phenol
CID 12652121
4-tert-butyl-2-fluorophenol
CID 11062790
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
2-[[(3aS,7aR)-3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl]methyl]-4-tert-butylphenol
CID 102228826
4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862690

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol?
The IUPAC name of 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol (CID 15322598) is 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol is C=C(Cc1cc(C(C)(C)C)ccc1O)Cc1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol?
The InChIKey is PYSLTXUSJKPQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c1-16(12-17-14-19(23(2,3)4)8-10-21(17)25)13-18-15-20(24(5,6)7)9-11-22(18)26/h8-11,14-15,25-26H,1,12-13H2,2-7H3.
What are the key properties of 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol?
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol has a molecular weight of 352.52 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol is sourced from PubChem (CID 15322598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).