5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene

C18H19FO4 — CID 175460433

IUPAC5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(F)ccc1/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H19FO4/c1-20-15-11-14(19)8-7-13(15)6-5-12-9-16(21-2)18(23-4)17(10-12)22-3/h5-11H,1-4H3/b6-5+
InChIKeyHEZYSGYILQUUQB-AATRIKPKSA-N
MW318.34 g/mol
LogP4.03
Rot. Bonds6

About 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene

5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 175460433) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID175460433
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(F)ccc1/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H19FO4/c1-20-15-11-14(19)8-7-13(15)6-5-12-9-16(21-2)18(23-4)17(10-12)22-3/h5-11H,1-4H3/b6-5+
InChIKeyHEZYSGYILQUUQB-AATRIKPKSA-N
XLogP4.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene with MolForge

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

Launch Full Analysis

Related Compounds

1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
ethane;2-[(4-fluorophenyl)sulfanylamino]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 145072270
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 137454170
1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 24854190

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 175460433) is 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is COc1cc(F)ccc1/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is HEZYSGYILQUUQB-AATRIKPKSA-N. The full InChI is InChI=1S/C18H19FO4/c1-20-15-11-14(19)8-7-13(15)6-5-12-9-16(21-2)18(23-4)17(10-12)22-3/h5-11H,1-4H3/b6-5+.
What are the key properties of 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 318.34 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 175460433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).