1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene

C11H15FO2 — CID 130057945

IUPAC1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene
SMILESCOc1c(F)ccc(C)c1OC(C)C
InChIInChI=1S/C11H15FO2/c1-7(2)14-10-8(3)5-6-9(12)11(10)13-4/h5-7H,1-4H3
InChIKeyDROKJQYAKGFXBE-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.93
Rot. Bonds3

About 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene

1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene (PubChem CID 130057945) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene
PubChem CID130057945
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene
SMILESCOc1c(F)ccc(C)c1OC(C)C
InChIInChI=1S/C11H15FO2/c1-7(2)14-10-8(3)5-6-9(12)11(10)13-4/h5-7H,1-4H3
InChIKeyDROKJQYAKGFXBE-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene?
The IUPAC name of 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene (CID 130057945) is 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene.
What is the SMILES notation for 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene?
The canonical SMILES for 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene is COc1c(F)ccc(C)c1OC(C)C.
What is the InChIKey of 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene?
The InChIKey is DROKJQYAKGFXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-7(2)14-10-8(3)5-6-9(12)11(10)13-4/h5-7H,1-4H3.
What are the key properties of 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene?
1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene has a molecular weight of 198.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene is sourced from PubChem (CID 130057945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).