1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene

C18H16 — CID 20571999

IUPAC1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
SMILESC=Cc1cccc(/C=C/c2ccccc2)c1C=C
InChIInChI=1S/C18H16/c1-3-16-11-8-12-17(18(16)4-2)14-13-15-9-6-5-7-10-15/h3-14H,1-2H2/b14-13+
InChIKeyBYMLHJQTOKUCCH-BUHFOSPRSA-N
MW232.33 g/mol
LogP5.14
Rot. Bonds4

About 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene

1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene (PubChem CID 20571999) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
PubChem CID20571999
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
SMILESC=Cc1cccc(/C=C/c2ccccc2)c1C=C
InChIInChI=1S/C18H16/c1-3-16-11-8-12-17(18(16)4-2)14-13-15-9-6-5-7-10-15/h3-14H,1-2H2/b14-13+
InChIKeyBYMLHJQTOKUCCH-BUHFOSPRSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.33
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene (CID 20571999) is 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene is C=Cc1cccc(/C=C/c2ccccc2)c1C=C.
What is the InChIKey of 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene?
The InChIKey is BYMLHJQTOKUCCH-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H16/c1-3-16-11-8-12-17(18(16)4-2)14-13-15-9-6-5-7-10-15/h3-14H,1-2H2/b14-13+.
What are the key properties of 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene?
1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene has a molecular weight of 232.33 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 20571999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).