3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one

C22H17FO4 — CID 1413307

IUPAC3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one
SMILESCc1cc(C)c2oc(-c3ccco3)c(OCc3ccccc3F)c(=O)c2c1
InChIInChI=1S/C22H17FO4/c1-13-10-14(2)20-16(11-13)19(24)22(21(27-20)18-8-5-9-25-18)26-12-15-6-3-4-7-17(15)23/h3-11H,12H2,1-2H3
InChIKeyYJFKOEDCYMSTIS-UHFFFAOYSA-N
MW364.37 g/mol
LogP5.39
Rot. Bonds4

About 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one

3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one (PubChem CID 1413307) has the molecular formula C22H17FO4 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one
PubChem CID1413307
Molecular FormulaC22H17FO4
Molecular Weight364.37 g/mol
Exact Mass364.11
IUPAC Name3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one
SMILESCc1cc(C)c2oc(-c3ccco3)c(OCc3ccccc3F)c(=O)c2c1
InChIInChI=1S/C22H17FO4/c1-13-10-14(2)20-16(11-13)19(24)22(21(27-20)18-8-5-9-25-18)26-12-15-6-3-4-7-17(15)23/h3-11H,12H2,1-2H3
InChIKeyYJFKOEDCYMSTIS-UHFFFAOYSA-N
XLogP5.39
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-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-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 1413285
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
CID 1409504
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
CID 1409522
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate
CID 1409513
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
2-[(2-fluorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66278256
3-[2-(4-bromophenyl)-2-oxoethoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 20999935

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one (CID 1413307) is 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one is Cc1cc(C)c2oc(-c3ccco3)c(OCc3ccccc3F)c(=O)c2c1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one?
The InChIKey is YJFKOEDCYMSTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO4/c1-13-10-14(2)20-16(11-13)19(24)22(21(27-20)18-8-5-9-25-18)26-12-15-6-3-4-7-17(15)23/h3-11H,12H2,1-2H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one?
3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one has a molecular weight of 364.37 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one is sourced from PubChem (CID 1413307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).