8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one

C12H11FO2 — CID 91281781

IUPAC8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one
SMILESCOc1ccc2c(c1F)C(=O)C=C(C)C2
InChIInChI=1S/C12H11FO2/c1-7-5-8-3-4-10(15-2)12(13)11(8)9(14)6-7/h3-4,6H,5H2,1-2H3
InChIKeyQALGZYZOBWUVHW-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.52
Rot. Bonds1

About 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one

8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one (PubChem CID 91281781) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one.

Molecular Properties

Compound Name8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one
PubChem CID91281781
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one
SMILESCOc1ccc2c(c1F)C(=O)C=C(C)C2
InChIInChI=1S/C12H11FO2/c1-7-5-8-3-4-10(15-2)12(13)11(8)9(14)6-7/h3-4,6H,5H2,1-2H3
InChIKeyQALGZYZOBWUVHW-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one?
The IUPAC name of 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one (CID 91281781) is 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one.
What is the SMILES notation for 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one?
The canonical SMILES for 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one is COc1ccc2c(c1F)C(=O)C=C(C)C2.
What is the InChIKey of 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one?
The InChIKey is QALGZYZOBWUVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-7-5-8-3-4-10(15-2)12(13)11(8)9(14)6-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one?
8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one has a molecular weight of 206.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methoxy-3-methyl-4H-naphthalen-1-one is sourced from PubChem (CID 91281781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).