6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one

C10H9FO3 — CID 156871065

IUPAC6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1c(O)c(F)cc2c1OCCC2=O
InChIInChI=1S/C10H9FO3/c1-5-9(13)7(11)4-6-8(12)2-3-14-10(5)6/h4,13H,2-3H2,1H3
InChIKeyULFXKGOXQDAVPW-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.80
Rot. Bonds

About 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one

6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 156871065) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
PubChem CID156871065
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1c(O)c(F)cc2c1OCCC2=O
InChIInChI=1S/C10H9FO3/c1-5-9(13)7(11)4-6-8(12)2-3-14-10(5)6/h4,13H,2-3H2,1H3
InChIKeyULFXKGOXQDAVPW-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one (CID 156871065) is 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one is Cc1c(O)c(F)cc2c1OCCC2=O.
What is the InChIKey of 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is ULFXKGOXQDAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-5-9(13)7(11)4-6-8(12)2-3-14-10(5)6/h4,13H,2-3H2,1H3.
What are the key properties of 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one?
6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one has a molecular weight of 196.18 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 156871065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).