1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene

C19H22 — CID 156672934

IUPAC1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
SMILESC/C(=C\c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22/c1-15(17-8-6-5-7-9-17)14-16-10-12-18(13-11-16)19(2,3)4/h5-14H,1-4H3/b15-14+
InChIKeyAOYGGRQCJUBQAU-CCEZHUSRSA-N
MW250.38 g/mol
LogP5.54
Rot. Bonds2

About 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene

1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene (PubChem CID 156672934) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
PubChem CID156672934
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
SMILESC/C(=C\c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22/c1-15(17-8-6-5-7-9-17)14-16-10-12-18(13-11-16)19(2,3)4/h5-14H,1-4H3/b15-14+
InChIKeyAOYGGRQCJUBQAU-CCEZHUSRSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylprop-1-enyl)phenol
CID 54547938
(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid
CID 43344010
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline
CID 74063844
1-tert-butyl-4-(2-nitro-2-phenylethenyl)benzene
CID 76996214
1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
CID 23400804
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
4-[(Z)-1-phenylprop-1-en-2-yl]pyridine
CID 14770496
1-tert-butyl-4-[2-[2-[(E)-1-phenylprop-1-en-2-yl]phenyl]ethynyl]benzene
CID 153341617
1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene
CID 59120075
2,3-bis[2-[4-[2-(4-tert-butylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100430
1-tert-butyl-4-(2,2-dibromoethenyl)benzene
CID 95993486

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene?
The IUPAC name of 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene (CID 156672934) is 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene is C/C(=C\c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene?
The InChIKey is AOYGGRQCJUBQAU-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H22/c1-15(17-8-6-5-7-9-17)14-16-10-12-18(13-11-16)19(2,3)4/h5-14H,1-4H3/b15-14+.
What are the key properties of 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene?
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene has a molecular weight of 250.38 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene is sourced from PubChem (CID 156672934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).