5-fluoro-6-methoxy-2,3-dihydrochromen-4-one

C10H9FO3 — CID 55269506

IUPAC5-fluoro-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1F)C(=O)CCO2
InChIInChI=1S/C10H9FO3/c1-13-8-3-2-7-9(10(8)11)6(12)4-5-14-7/h2-3H,4-5H2,1H3
InChIKeyJOOKFGBZBBBUTB-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.80
Rot. Bonds1

About 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one

5-fluoro-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 55269506) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-fluoro-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID55269506
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name5-fluoro-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1F)C(=O)CCO2
InChIInChI=1S/C10H9FO3/c1-13-8-3-2-7-9(10(8)11)6(12)4-5-14-7/h2-3H,4-5H2,1H3
InChIKeyJOOKFGBZBBBUTB-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one (CID 55269506) is 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1F)C(=O)CCO2.
What is the InChIKey of 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is JOOKFGBZBBBUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-13-8-3-2-7-9(10(8)11)6(12)4-5-14-7/h2-3H,4-5H2,1H3.
What are the key properties of 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one?
5-fluoro-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 196.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 55269506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).