1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene

C21H24 — CID 144776019

IUPAC1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C21H24/c1-16(2)19-13-18(14-20(15-19)21(3,4)5)12-11-17-9-7-6-8-10-17/h6-15H,1H2,2-5H3/b12-11+
InChIKeyVGRFHEFDNQISAX-VAWYXSNFSA-N
MW276.42 g/mol
LogP6.19
Rot. Bonds3

About 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene

1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene (PubChem CID 144776019) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene
PubChem CID144776019
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C21H24/c1-16(2)19-13-18(14-20(15-19)21(3,4)5)12-11-17-9-7-6-8-10-17/h6-15H,1H2,2-5H3/b12-11+
InChIKeyVGRFHEFDNQISAX-VAWYXSNFSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.19
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

1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene;ethane
CID 144776018
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
2-phenylethenol;prop-1-en-2-ylbenzene
CID 162256801
1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
CID 4625492
1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 164762812
1-bromo-3-tert-butyl-5-prop-1-en-2-ylbenzene
CID 86719126
3-(3,5-ditert-butylphenyl)-1-phenylprop-2-en-1-one
CID 5154900
CID 70569152
CID 70569152
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
acetic acid;stilbene
CID 172803728
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene?
The IUPAC name of 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene (CID 144776019) is 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene is C=C(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene?
The InChIKey is VGRFHEFDNQISAX-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H24/c1-16(2)19-13-18(14-20(15-19)21(3,4)5)12-11-17-9-7-6-8-10-17/h6-15H,1H2,2-5H3/b12-11+.
What are the key properties of 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene?
1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene has a molecular weight of 276.42 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene is sourced from PubChem (CID 144776019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).