1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

C16H14F2O2 — CID 15584106

IUPAC1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C(F)=C(\F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14F2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3/b16-15+
InChIKeyMUFHCTBBUXEICJ-FOCLMDBBSA-N
MW276.28 g/mol
LogP4.47
Rot. Bonds4

About 1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene (PubChem CID 15584106) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
PubChem CID15584106
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C(F)=C(\F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14F2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3/b16-15+
InChIKeyMUFHCTBBUXEICJ-FOCLMDBBSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.47
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)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene (CID 15584106) is 1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene is COc1ccc(/C(F)=C(\F)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The InChIKey is MUFHCTBBUXEICJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3/b16-15+.
What are the key properties of 1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene has a molecular weight of 276.28 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene is sourced from PubChem (CID 15584106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).