3-fluoro-8-methoxy-4-methylchromen-2-one

C11H9FO3 — CID 164597480

IUPAC3-fluoro-8-methoxy-4-methylchromen-2-one
SMILESCOc1cccc2c(C)c(F)c(=O)oc12
InChIInChI=1S/C11H9FO3/c1-6-7-4-3-5-8(14-2)10(7)15-11(13)9(6)12/h3-5H,1-2H3
InChIKeyAERVVAQFGUKJBV-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.25
Rot. Bonds1

About 3-fluoro-8-methoxy-4-methylchromen-2-one

3-fluoro-8-methoxy-4-methylchromen-2-one (PubChem CID 164597480) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-fluoro-8-methoxy-4-methylchromen-2-one.

Molecular Properties

Compound Name3-fluoro-8-methoxy-4-methylchromen-2-one
PubChem CID164597480
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name3-fluoro-8-methoxy-4-methylchromen-2-one
SMILESCOc1cccc2c(C)c(F)c(=O)oc12
InChIInChI=1S/C11H9FO3/c1-6-7-4-3-5-8(14-2)10(7)15-11(13)9(6)12/h3-5H,1-2H3
InChIKeyAERVVAQFGUKJBV-UHFFFAOYSA-N
XLogP2.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-fluoro-8-methoxy-4-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dimethoxy-3-methyl-1-benzofuran
CID 70144170
3,4-dichloro-8-methoxychromen-2-one
CID 12521868
4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one
CID 54690574
1-(7-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281320
3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
CID 171935993
6-methoxydibenzofuran-4-thiol
CID 23254072
8-(11-ethenoxyundecylsulfanyl)-3-fluoro-4-methylchromen-2-one
CID 164597440
2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one
CID 58668704
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924
3-(hydroxymethyl)-8-methoxychromen-2-one
CID 21128834
4-ethyl-8-methoxy-1,3-benzoxazin-2-one
CID 71154693

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-methoxy-4-methylchromen-2-one?
The IUPAC name of 3-fluoro-8-methoxy-4-methylchromen-2-one (CID 164597480) is 3-fluoro-8-methoxy-4-methylchromen-2-one.
What is the SMILES notation for 3-fluoro-8-methoxy-4-methylchromen-2-one?
The canonical SMILES for 3-fluoro-8-methoxy-4-methylchromen-2-one is COc1cccc2c(C)c(F)c(=O)oc12.
What is the InChIKey of 3-fluoro-8-methoxy-4-methylchromen-2-one?
The InChIKey is AERVVAQFGUKJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-6-7-4-3-5-8(14-2)10(7)15-11(13)9(6)12/h3-5H,1-2H3.
What are the key properties of 3-fluoro-8-methoxy-4-methylchromen-2-one?
3-fluoro-8-methoxy-4-methylchromen-2-one has a molecular weight of 208.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-methoxy-4-methylchromen-2-one is sourced from PubChem (CID 164597480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).