4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one

C21H14F4O6 — CID 11848275

IUPAC4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one
SMILESCOc1c2ccoc2c(OCCOc2c(F)c(F)cc(F)c2F)c2oc(C)cc(=O)c12
InChIInChI=1S/C21H14F4O6/c1-9-7-13(26)14-17(27-2)10-3-4-28-18(10)21(19(14)31-9)30-6-5-29-20-15(24)11(22)8-12(23)16(20)25/h3-4,7-8H,5-6H2,1-2H3
InChIKeySEWFOWJQRNKNHS-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.87
Rot. Bonds6

About 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one

4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one (PubChem CID 11848275) has the molecular formula C21H14F4O6 and a molecular weight of 438.33 g/mol. Its IUPAC name is 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one.

Molecular Properties

Compound Name4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one
PubChem CID11848275
Molecular FormulaC21H14F4O6
Molecular Weight438.33 g/mol
Exact Mass438.07
IUPAC Name4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one
SMILESCOc1c2ccoc2c(OCCOc2c(F)c(F)cc(F)c2F)c2oc(C)cc(=O)c12
InChIInChI=1S/C21H14F4O6/c1-9-7-13(26)14-17(27-2)10-3-4-28-18(10)21(19(14)31-9)30-6-5-29-20-15(24)11(22)8-12(23)16(20)25/h3-4,7-8H,5-6H2,1-2H3
InChIKeySEWFOWJQRNKNHS-UHFFFAOYSA-N
XLogP4.87
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one
CID 143652322
9-methoxy-7-methyl-4-phenylmethoxyfuro[3,2-g]chromen-5-one
CID 11537346
9-methoxy-7-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
CID 11683195
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
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
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
4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
CID 11509693
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one
CID 160707353

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one?
The IUPAC name of 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one (CID 11848275) is 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one.
What is the SMILES notation for 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one?
The canonical SMILES for 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one is COc1c2ccoc2c(OCCOc2c(F)c(F)cc(F)c2F)c2oc(C)cc(=O)c12.
What is the InChIKey of 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one?
The InChIKey is SEWFOWJQRNKNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4O6/c1-9-7-13(26)14-17(27-2)10-3-4-28-18(10)21(19(14)31-9)30-6-5-29-20-15(24)11(22)8-12(23)16(20)25/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one?
4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one has a molecular weight of 438.33 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one is sourced from PubChem (CID 11848275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).