4-fluoro-1,2-dimethoxybenzene

C8H9FO2 — CID 593640

IUPAC4-fluoro-1,2-dimethoxybenzene
SMILESCOc1ccc(F)cc1OC
InChIInChI=1S/C8H9FO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChIKeyDAGKHJDZYJFWSO-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.84
Rot. Bonds2

About 4-fluoro-1,2-dimethoxybenzene

4-fluoro-1,2-dimethoxybenzene (PubChem CID 593640) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-fluoro-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-fluoro-1,2-dimethoxybenzene
PubChem CID593640
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name4-fluoro-1,2-dimethoxybenzene
SMILESCOc1ccc(F)cc1OC
InChIInChI=1S/C8H9FO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChIKeyDAGKHJDZYJFWSO-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Guaiacol
CID 460
Anisole
CID 7519
Veratrole
CID 7043
1,4-Dimethoxybenzene
CID 9016
2-Ethoxyphenol
CID 66755
Guaiacol Carbonate
CID 11104
1,2,4-Trimethoxybenzene
CID 67284
Guaiacyl acetate
CID 61155
1,2,3-Trimethoxybenzene
CID 12462
Guaiacol propionate
CID 348502
Catechol diacetate
CID 12479
1-Ethoxy-2-methoxybenzene
CID 87170

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-dimethoxybenzene?
The IUPAC name of 4-fluoro-1,2-dimethoxybenzene (CID 593640) is 4-fluoro-1,2-dimethoxybenzene.
What is the SMILES notation for 4-fluoro-1,2-dimethoxybenzene?
The canonical SMILES for 4-fluoro-1,2-dimethoxybenzene is COc1ccc(F)cc1OC.
What is the InChIKey of 4-fluoro-1,2-dimethoxybenzene?
The InChIKey is DAGKHJDZYJFWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3.
What are the key properties of 4-fluoro-1,2-dimethoxybenzene?
4-fluoro-1,2-dimethoxybenzene has a molecular weight of 156.16 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-dimethoxybenzene is sourced from PubChem (CID 593640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).