1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene

C28H24O2 — CID 10318364

IUPAC1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene
SMILESC(=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C28H24O2/c1-4-10-23(11-5-1)16-17-26-18-27(29-21-24-12-6-2-7-13-24)20-28(19-26)30-22-25-14-8-3-9-15-25/h1-20H,21-22H2/b17-16+
InChIKeyDSJXOUIDSRVOEH-WUKNDPDISA-N
MW392.50 g/mol
LogP7.01
Rot. Bonds8

About 1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene

1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene (PubChem CID 10318364) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene
PubChem CID10318364
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene
SMILESC(=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C28H24O2/c1-4-10-23(11-5-1)16-17-26-18-27(29-21-24-12-6-2-7-13-24)20-28(19-26)30-22-25-14-8-3-9-15-25/h1-20H,21-22H2/b17-16+
InChIKeyDSJXOUIDSRVOEH-WUKNDPDISA-N
XLogP7.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene?
The IUPAC name of 1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene (CID 10318364) is 1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene is C(=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)\c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene?
The InChIKey is DSJXOUIDSRVOEH-WUKNDPDISA-N. The full InChI is InChI=1S/C28H24O2/c1-4-10-23(11-5-1)16-17-26-18-27(29-21-24-12-6-2-7-13-24)20-28(19-26)30-22-25-14-8-3-9-15-25/h1-20H,21-22H2/b17-16+.
What are the key properties of 1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene?
1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene has a molecular weight of 392.50 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-3,5-bis(phenylmethoxy)benzene is sourced from PubChem (CID 10318364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).