1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene

C16H15FO2 — CID 11253913

IUPAC1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene
SMILESCOCOc1ccccc1/C=C/c1ccccc1F
InChIInChI=1S/C16H15FO2/c1-18-12-19-16-9-5-3-7-14(16)11-10-13-6-2-4-8-15(13)17/h2-11H,12H2,1H3/b11-10+
InChIKeyLSVSIKRJAPJJKS-ZHACJKMWSA-N
MW258.29 g/mol
LogP3.98
Rot. Bonds5

About 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene

1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene (PubChem CID 11253913) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene
PubChem CID11253913
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene
SMILESCOCOc1ccccc1/C=C/c1ccccc1F
InChIInChI=1S/C16H15FO2/c1-18-12-19-16-9-5-3-7-14(16)11-10-13-6-2-4-8-15(13)17/h2-11H,12H2,1H3/b11-10+
InChIKeyLSVSIKRJAPJJKS-ZHACJKMWSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 5364272
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
2-[(E)-2-(2-fluorophenyl)ethenyl]sulfanyl-3-methoxypyridine
CID 174289068
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649767
2-[[2-(methoxymethoxy)phenyl]methylidene]butanoic acid
CID 77271296
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol
CID 167679834
dimethoxy-[2-(methoxymethoxy)phenyl]borane
CID 123184481
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
3-[2-(methoxymethoxy)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 141130762

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene?
The IUPAC name of 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene (CID 11253913) is 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene?
The canonical SMILES for 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene is COCOc1ccccc1/C=C/c1ccccc1F.
What is the InChIKey of 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene?
The InChIKey is LSVSIKRJAPJJKS-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15FO2/c1-18-12-19-16-9-5-3-7-14(16)11-10-13-6-2-4-8-15(13)17/h2-11H,12H2,1H3/b11-10+.
What are the key properties of 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene?
1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene has a molecular weight of 258.29 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene is sourced from PubChem (CID 11253913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).