1-ethoxy-2-fluoro-3-methylbenzene

C9H11FO — CID 59732440

IUPAC1-ethoxy-2-fluoro-3-methylbenzene
SMILESCCOc1cccc(C)c1F
InChIInChI=1S/C9H11FO/c1-3-11-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3
InChIKeyBOGPPCQYNOSNPD-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.53
Rot. Bonds2

About 1-ethoxy-2-fluoro-3-methylbenzene

1-ethoxy-2-fluoro-3-methylbenzene (PubChem CID 59732440) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-3-methylbenzene
PubChem CID59732440
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name1-ethoxy-2-fluoro-3-methylbenzene
SMILESCCOc1cccc(C)c1F
InChIInChI=1S/C9H11FO/c1-3-11-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3
InChIKeyBOGPPCQYNOSNPD-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
2-ethoxy-6-methylphenol
CID 14911944
ethane;1-ethoxy-3-fluoro-2-methylbenzene
CID 143520005
1-but-2-ynoxy-2-fluoro-3-methylbenzene
CID 103988295
2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
CID 103988421
1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
CID 107660344
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
CID 143507707
2-fluoro-1-methyl-3-(4,4,4-trifluorobutoxy)benzene
CID 107661943
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
1-but-3-ynoxy-2-fluoro-3-methylbenzene
CID 103988403

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-3-methylbenzene?
The IUPAC name of 1-ethoxy-2-fluoro-3-methylbenzene (CID 59732440) is 1-ethoxy-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-ethoxy-2-fluoro-3-methylbenzene is CCOc1cccc(C)c1F.
What is the InChIKey of 1-ethoxy-2-fluoro-3-methylbenzene?
The InChIKey is BOGPPCQYNOSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-3-11-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethoxy-2-fluoro-3-methylbenzene?
1-ethoxy-2-fluoro-3-methylbenzene has a molecular weight of 154.18 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-3-methylbenzene is sourced from PubChem (CID 59732440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).