2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene

C22H22 — CID 14597022

IUPAC2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
SMILESCC(C)(C)c1ccc(/C=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22/c1-22(2,3)21-14-11-17(12-15-21)8-9-18-10-13-19-6-4-5-7-20(19)16-18/h4-16H,1-3H3/b9-8+
InChIKeyTWDTWRJKOUKYKV-CMDGGOBGSA-N
MW286.42 g/mol
LogP6.31
Rot. Bonds2

About 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene

2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene (PubChem CID 14597022) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
PubChem CID14597022
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
SMILESCC(C)(C)c1ccc(/C=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22/c1-22(2,3)21-14-11-17(12-15-21)8-9-18-10-13-19-6-4-5-7-20(19)16-18/h4-16H,1-3H3/b9-8+
InChIKeyTWDTWRJKOUKYKV-CMDGGOBGSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.31
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

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene (CID 14597022) is 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene is CC(C)(C)c1ccc(/C=C/c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene?
The InChIKey is TWDTWRJKOUKYKV-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H22/c1-22(2,3)21-14-11-17(12-15-21)8-9-18-10-13-19-6-4-5-7-20(19)16-18/h4-16H,1-3H3/b9-8+.
What are the key properties of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene?
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene has a molecular weight of 286.42 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene is sourced from PubChem (CID 14597022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).