1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene

C15H12F2O — CID 11817441

IUPAC1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2-
InChIKeyJXXRRHGSTQRHIL-IHWYPQMZSA-N
MW246.26 g/mol
LogP4.14
Rot. Bonds3

About 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene

1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 11817441) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID11817441
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2-
InChIKeyJXXRRHGSTQRHIL-IHWYPQMZSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene (CID 11817441) is 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C\c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is JXXRRHGSTQRHIL-IHWYPQMZSA-N. The full InChI is InChI=1S/C15H12F2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2-.
What are the key properties of 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 246.26 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 11817441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).