3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene

C13H19FO2 — CID 130328241

IUPAC3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCOc1c(C)ccc(COC(C)(C)C)c1F
InChIInChI=1S/C13H19FO2/c1-9-6-7-10(8-16-13(2,3)4)11(14)12(9)15-5/h6-7H,8H2,1-5H3
InChIKeyPAPLLRKIUCVJIL-UHFFFAOYSA-N
MW226.29 g/mol
LogP3.46
Rot. Bonds3

About 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene

3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 130328241) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID130328241
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCOc1c(C)ccc(COC(C)(C)C)c1F
InChIInChI=1S/C13H19FO2/c1-9-6-7-10(8-16-13(2,3)4)11(14)12(9)15-5/h6-7H,8H2,1-5H3
InChIKeyPAPLLRKIUCVJIL-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 130328241) is 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene is COc1c(C)ccc(COC(C)(C)C)c1F.
What is the InChIKey of 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is PAPLLRKIUCVJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-9-6-7-10(8-16-13(2,3)4)11(14)12(9)15-5/h6-7H,8H2,1-5H3.
What are the key properties of 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 226.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 130328241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).