1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene

C19H18F2O2 — CID 11709462

IUPAC1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene
SMILESC=CC(/C=C/c1ccc(F)cc1F)c1ccc(OC)cc1OC
InChIInChI=1S/C19H18F2O2/c1-4-13(5-6-14-7-8-15(20)11-18(14)21)17-10-9-16(22-2)12-19(17)23-3/h4-13H,1H2,2-3H3/b6-5+
InChIKeyAXWZWNGDWJLCGA-AATRIKPKSA-N
MW316.35 g/mol
LogP4.97
Rot. Bonds6

About 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene

1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene (PubChem CID 11709462) has the molecular formula C19H18F2O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene
PubChem CID11709462
Molecular FormulaC19H18F2O2
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene
SMILESC=CC(/C=C/c1ccc(F)cc1F)c1ccc(OC)cc1OC
InChIInChI=1S/C19H18F2O2/c1-4-13(5-6-14-7-8-15(20)11-18(14)21)17-10-9-16(22-2)12-19(17)23-3/h4-13H,1H2,2-3H3/b6-5+
InChIKeyAXWZWNGDWJLCGA-AATRIKPKSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene (CID 11709462) is 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene is C=CC(/C=C/c1ccc(F)cc1F)c1ccc(OC)cc1OC.
What is the InChIKey of 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene?
The InChIKey is AXWZWNGDWJLCGA-AATRIKPKSA-N. The full InChI is InChI=1S/C19H18F2O2/c1-4-13(5-6-14-7-8-15(20)11-18(14)21)17-10-9-16(22-2)12-19(17)23-3/h4-13H,1H2,2-3H3/b6-5+.
What are the key properties of 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene?
1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene has a molecular weight of 316.35 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-1-(2,4-difluorophenyl)penta-1,4-dien-3-yl]-2,4-dimethoxybenzene is sourced from PubChem (CID 11709462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).