1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene

C26H28O — CID 100928852

IUPAC1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene
SMILESCC(C)=C(Oc1ccc(C(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H28O/c1-19(2)25(27-24-17-15-23(16-18-24)26(3,4)5)22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-18H,1-5H3
InChIKeyFTBPGJZZVJAGCE-UHFFFAOYSA-N
MW356.51 g/mol
LogP7.48
Rot. Bonds4

About 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene

1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene (PubChem CID 100928852) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene
PubChem CID100928852
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene
SMILESCC(C)=C(Oc1ccc(C(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H28O/c1-19(2)25(27-24-17-15-23(16-18-24)26(3,4)5)22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-18H,1-5H3
InChIKeyFTBPGJZZVJAGCE-UHFFFAOYSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

phenyl 4-tert-butylbenzoate
CID 733785
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
CID 19171847
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
(4-phenylphenyl) prop-1-en-2-yl carbonate
CID 167089525
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
(4-tert-butylphenyl) 4-tert-butylbenzoate;ethane
CID 157202631
1-(4-phenylphenyl)ethane-1,1-diol
CID 67813476
(4-phenylphenyl) 3-bromo-4-tert-butylbenzoate
CID 5118158
N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
CID 95982815

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene?
The IUPAC name of 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene (CID 100928852) is 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene.
What is the SMILES notation for 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene?
The canonical SMILES for 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene is CC(C)=C(Oc1ccc(C(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene?
The InChIKey is FTBPGJZZVJAGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O/c1-19(2)25(27-24-17-15-23(16-18-24)26(3,4)5)22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-18H,1-5H3.
What are the key properties of 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene?
1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene has a molecular weight of 356.51 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene is sourced from PubChem (CID 100928852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).