9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one

C21H15F3O6 — CID 11683195

IUPAC9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
SMILESCOc1c2occc2c(OCc2ccc(OC(F)(F)F)cc2)c2c(=O)cc(C)oc12
InChIInChI=1S/C21H15F3O6/c1-11-9-15(25)16-17(14-7-8-27-18(14)20(26-2)19(16)29-11)28-10-12-3-5-13(6-4-12)30-21(22,23)24/h3-9H,10H2,1-2H3
InChIKeyAJVYLXPWQMAXTG-UHFFFAOYSA-N
MW420.34 g/mol
LogP5.33
Rot. Bonds5

About 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one

9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one (PubChem CID 11683195) has the molecular formula C21H15F3O6 and a molecular weight of 420.34 g/mol. Its IUPAC name is 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one.

Molecular Properties

Compound Name9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
PubChem CID11683195
Molecular FormulaC21H15F3O6
Molecular Weight420.34 g/mol
Exact Mass420.08
IUPAC Name9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
SMILESCOc1c2occc2c(OCc2ccc(OC(F)(F)F)cc2)c2c(=O)cc(C)oc12
InChIInChI=1S/C21H15F3O6/c1-11-9-15(25)16-17(14-7-8-27-18(14)20(26-2)19(16)29-11)28-10-12-3-5-13(6-4-12)30-21(22,23)24/h3-9H,10H2,1-2H3
InChIKeyAJVYLXPWQMAXTG-UHFFFAOYSA-N
XLogP5.33
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-methoxy-7-methyl-4-phenylmethoxyfuro[3,2-g]chromen-5-one
CID 11537346
4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
CID 11509693
4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one
CID 11848275
4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
CID 16737253
4-methoxy-N-[4-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]butyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
CID 16737481
1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 11226936
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 90014454
(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methyl acetate;methanethiol
CID 88685421
cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate
CID 134815503
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
CID 68507115
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
2-methyl-3-phenylmethoxypyran-4-one
CID 1490119

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one?
The IUPAC name of 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one (CID 11683195) is 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one.
What is the SMILES notation for 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one?
The canonical SMILES for 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one is COc1c2occc2c(OCc2ccc(OC(F)(F)F)cc2)c2c(=O)cc(C)oc12.
What is the InChIKey of 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one?
The InChIKey is AJVYLXPWQMAXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O6/c1-11-9-15(25)16-17(14-7-8-27-18(14)20(26-2)19(16)29-11)28-10-12-3-5-13(6-4-12)30-21(22,23)24/h3-9H,10H2,1-2H3.
What are the key properties of 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one?
9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one has a molecular weight of 420.34 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one is sourced from PubChem (CID 11683195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).