1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene

C19H20F2O2 — CID 11544239

IUPAC1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene
SMILESCCC(/C=C/c1ccc(F)cc1F)c1ccc(OC)cc1OC
InChIInChI=1S/C19H20F2O2/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/h5-13H,4H2,1-3H3/b6-5+
InChIKeyOANHHYMIWVXYAP-AATRIKPKSA-N
MW318.36 g/mol
LogP5.19
Rot. Bonds6

About 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene

1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene (PubChem CID 11544239) has the molecular formula C19H20F2O2 and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene
PubChem CID11544239
Molecular FormulaC19H20F2O2
Molecular Weight318.36 g/mol
Exact Mass318.14
IUPAC Name1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene
SMILESCCC(/C=C/c1ccc(F)cc1F)c1ccc(OC)cc1OC
InChIInChI=1S/C19H20F2O2/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/h5-13H,4H2,1-3H3/b6-5+
InChIKeyOANHHYMIWVXYAP-AATRIKPKSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene (CID 11544239) is 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene is CCC(/C=C/c1ccc(F)cc1F)c1ccc(OC)cc1OC.
What is the InChIKey of 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene?
The InChIKey is OANHHYMIWVXYAP-AATRIKPKSA-N. The full InChI is InChI=1S/C19H20F2O2/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/h5-13H,4H2,1-3H3/b6-5+.
What are the key properties of 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene?
1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene has a molecular weight of 318.36 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(2,4-difluorophenyl)pent-1-en-3-yl]-2,4-dimethoxybenzene is sourced from PubChem (CID 11544239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).