methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate

C20H19FO6 — CID 153350695

IUPACmethyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
SMILESCOCc1cc2cc(COc3cc(F)ccc3CC(=O)OC)cc(O)c2o1
InChIInChI=1S/C20H19FO6/c1-24-11-16-7-14-5-12(6-17(22)20(14)27-16)10-26-18-9-15(21)4-3-13(18)8-19(23)25-2/h3-7,9,22H,8,10-11H2,1-2H3
InChIKeyHOSFRIIBBNVAFR-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.72
Rot. Bonds7

About methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate

methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate (PubChem CID 153350695) has the molecular formula C20H19FO6 and a molecular weight of 374.36 g/mol. Its IUPAC name is methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
PubChem CID153350695
Molecular FormulaC20H19FO6
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Namemethyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
SMILESCOCc1cc2cc(COc3cc(F)ccc3CC(=O)OC)cc(O)c2o1
InChIInChI=1S/C20H19FO6/c1-24-11-16-7-14-5-12(6-17(22)20(14)27-16)10-26-18-9-15(21)4-3-13(18)8-19(23)25-2/h3-7,9,22H,8,10-11H2,1-2H3
InChIKeyHOSFRIIBBNVAFR-UHFFFAOYSA-N
XLogP3.72
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-[[7-[3-(aminomethyl)phenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]-5-fluorophenyl]acetate
CID 153350817
ethyl 2-[2-[[7-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-3-fluoro-4-pyridinyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]-4-fluorophenyl]acetate
CID 159122533
ethyl 2-[4-acetamido-2-[[7-[3-(aminomethyl)-2-fluorophenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560676
methyl 2-[2-[[2-propyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 153350926
ethyl 2-[2-[[7-[3-(aminomethyl)-2-fluorophenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]-4-cyanophenyl]acetate
CID 139560951
1-methoxypropan-2-yl 2-[2-[[7-[3-(aminomethyl)phenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]-5-fluorophenyl]acetate
CID 146249591
2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid
CID 175256545
1-methoxypropan-2-yl 2-[2-[[7-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate
CID 166658114
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
ethyl 2-[2-[[7-[3-(aminomethyl)-2-fluorophenyl]-2-fluoro-1-benzofuran-5-yl]methoxy]-4-fluorophenyl]acetate
CID 139561185
2-[2-[[7-[3-(aminomethyl)phenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560496
ethyl 2-[2-[[7-[(1Z,3Z)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]penta-1,3-dien-3-yl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate
CID 166942867

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate (CID 153350695) is methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate is COCc1cc2cc(COc3cc(F)ccc3CC(=O)OC)cc(O)c2o1.
What is the InChIKey of methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate?
The InChIKey is HOSFRIIBBNVAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO6/c1-24-11-16-7-14-5-12(6-17(22)20(14)27-16)10-26-18-9-15(21)4-3-13(18)8-19(23)25-2/h3-7,9,22H,8,10-11H2,1-2H3.
What are the key properties of methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate?
methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate has a molecular weight of 374.36 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-fluoro-2-[[7-hydroxy-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate is sourced from PubChem (CID 153350695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).