2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one

C17H11FO6 — CID 169245769

IUPAC2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
SMILESCC1(F)Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2O1
InChIInChI=1S/C17H11FO6/c1-17(18)23-12-3-2-8(4-14(12)24-17)13-7-11(21)16-10(20)5-9(19)6-15(16)22-13/h2-7,19-20H,1H3
InChIKeyPAXLOVVPWLQLGM-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.29
Rot. Bonds1

About 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one

2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one (PubChem CID 169245769) has the molecular formula C17H11FO6 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
PubChem CID169245769
Molecular FormulaC17H11FO6
Molecular Weight330.27 g/mol
Exact Mass330.05
IUPAC Name2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
SMILESCC1(F)Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2O1
InChIInChI=1S/C17H11FO6/c1-17(18)23-12-3-2-8(4-14(12)24-17)13-7-11(21)16-10(20)5-9(19)6-15(16)22-13/h2-7,19-20H,1H3
InChIKeyPAXLOVVPWLQLGM-UHFFFAOYSA-N
XLogP3.29
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-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-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5-hydroxy-7-methoxychromen-4-one
CID 169245770
2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
CID 125350333
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
CID 25267158
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
5,7-dihydroxy-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
CID 172653209
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one?
The IUPAC name of 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one (CID 169245769) is 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one.
What is the SMILES notation for 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one?
The canonical SMILES for 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one is CC1(F)Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2O1.
What is the InChIKey of 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one?
The InChIKey is PAXLOVVPWLQLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO6/c1-17(18)23-12-3-2-8(4-14(12)24-17)13-7-11(21)16-10(20)5-9(19)6-15(16)22-13/h2-7,19-20H,1H3.
What are the key properties of 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one?
2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one has a molecular weight of 330.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 169245769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).