1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene

C18H19FO3 — CID 56949928

IUPAC1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OCCF)cc2)cc(OC)c1
InChIInChI=1S/C18H19FO3/c1-20-17-11-15(12-18(13-17)21-2)4-3-14-5-7-16(8-6-14)22-10-9-19/h3-8,11-13H,9-10H2,1-2H3/b4-3+
InChIKeyKVSIHKCSZCKBKZ-ONEGZZNKSA-N
MW302.35 g/mol
LogP4.22
Rot. Bonds7

About 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene

1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene (PubChem CID 56949928) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
PubChem CID56949928
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OCCF)cc2)cc(OC)c1
InChIInChI=1S/C18H19FO3/c1-20-17-11-15(12-18(13-17)21-2)4-3-14-5-7-16(8-6-14)22-10-9-19/h3-8,11-13H,9-10H2,1-2H3/b4-3+
InChIKeyKVSIHKCSZCKBKZ-ONEGZZNKSA-N
XLogP4.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-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)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene (CID 56949928) is 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene is COc1cc(/C=C/c2ccc(OCCF)cc2)cc(OC)c1.
What is the InChIKey of 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
The InChIKey is KVSIHKCSZCKBKZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H19FO3/c1-20-17-11-15(12-18(13-17)21-2)4-3-14-5-7-16(8-6-14)22-10-9-19/h3-8,11-13H,9-10H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene has a molecular weight of 302.35 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 56949928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).