1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene

C17H17FO2 — CID 172652027

IUPAC1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene
SMILESC=Cc1cc(F)cc(-c2ccc(OC)cc2COC)c1
InChIInChI=1S/C17H17FO2/c1-4-12-7-13(9-15(18)8-12)17-6-5-16(20-3)10-14(17)11-19-2/h4-10H,1,11H2,2-3H3
InChIKeyUQMZBTMTYFOSDB-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.29
Rot. Bonds5

About 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene

1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene (PubChem CID 172652027) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene
PubChem CID172652027
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene
SMILESC=Cc1cc(F)cc(-c2ccc(OC)cc2COC)c1
InChIInChI=1S/C17H17FO2/c1-4-12-7-13(9-15(18)8-12)17-6-5-16(20-3)10-14(17)11-19-2/h4-10H,1,11H2,2-3H3
InChIKeyUQMZBTMTYFOSDB-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene 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

3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde
CID 172652021
3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 172652029
3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172651683
3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172652041
[2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine
CID 114078570
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
2-(ethenoxymethyl)-4-methoxyphenol
CID 45091276
1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
CID 117300552
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
2-methoxy-1-(methoxymethyl)-4-(4-methoxy-2-methylphenyl)benzene
CID 143812999
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
2-(3-fluoro-5-methylphenyl)-4-methoxyphenol
CID 104707351

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene?
The IUPAC name of 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene (CID 172652027) is 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene.
What is the SMILES notation for 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene?
The canonical SMILES for 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene is C=Cc1cc(F)cc(-c2ccc(OC)cc2COC)c1.
What is the InChIKey of 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene?
The InChIKey is UQMZBTMTYFOSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-4-12-7-13(9-15(18)8-12)17-6-5-16(20-3)10-14(17)11-19-2/h4-10H,1,11H2,2-3H3.
What are the key properties of 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene?
1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene has a molecular weight of 272.32 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene is sourced from PubChem (CID 172652027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).