2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene

C16H16O2 — CID 10752544

IUPAC2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C16H16O2/c1-17-15-11-10-14(16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKeyFQUPCEHJCVWBRZ-CMDGGOBGSA-N
MW240.30 g/mol
LogP3.87
Rot. Bonds4

About 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene

2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene (PubChem CID 10752544) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene
PubChem CID10752544
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C16H16O2/c1-17-15-11-10-14(16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKeyFQUPCEHJCVWBRZ-CMDGGOBGSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.87
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 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene (CID 10752544) is 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene is COc1ccc(/C=C/c2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene?
The InChIKey is FQUPCEHJCVWBRZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H16O2/c1-17-15-11-10-14(16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+.
What are the key properties of 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene?
2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene has a molecular weight of 240.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 10752544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).