1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene

C10H11FO — CID 145207098

IUPAC1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene
SMILESC=Cc1ccc(C)c(OC)c1F
InChIInChI=1S/C10H11FO/c1-4-8-6-5-7(2)10(12-3)9(8)11/h4-6H,1H2,2-3H3
InChIKeyJMSFEGGZKZXFKQ-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.79
Rot. Bonds2

About 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene

1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene (PubChem CID 145207098) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene
PubChem CID145207098
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene
SMILESC=Cc1ccc(C)c(OC)c1F
InChIInChI=1S/C10H11FO/c1-4-8-6-5-7(2)10(12-3)9(8)11/h4-6H,1H2,2-3H3
InChIKeyJMSFEGGZKZXFKQ-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene?
The IUPAC name of 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene (CID 145207098) is 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene.
What is the SMILES notation for 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene?
The canonical SMILES for 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene is C=Cc1ccc(C)c(OC)c1F.
What is the InChIKey of 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene?
The InChIKey is JMSFEGGZKZXFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-4-8-6-5-7(2)10(12-3)9(8)11/h4-6H,1H2,2-3H3.
What are the key properties of 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene?
1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene has a molecular weight of 166.19 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene is sourced from PubChem (CID 145207098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).