ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

C19H17FO4 — CID 854513

IUPACethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OCc3ccccc3F)cc12
InChIInChI=1S/C19H17FO4/c1-3-22-19(21)18-12(2)24-17-9-8-14(10-15(17)18)23-11-13-6-4-5-7-16(13)20/h4-10H,3,11H2,1-2H3
InChIKeyXIHRIUXMJXYVLJ-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.64
Rot. Bonds5

About ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 854513) has the molecular formula C19H17FO4 and a molecular weight of 328.34 g/mol. Its IUPAC name is ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
PubChem CID854513
Molecular FormulaC19H17FO4
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Nameethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OCc3ccccc3F)cc12
InChIInChI=1S/C19H17FO4/c1-3-22-19(21)18-12(2)24-17-9-8-14(10-15(17)18)23-11-13-6-4-5-7-16(13)20/h4-10H,3,11H2,1-2H3
InChIKeyXIHRIUXMJXYVLJ-UHFFFAOYSA-N
XLogP4.64
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate (CID 854513) is ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2ccc(OCc3ccccc3F)cc12.
What is the InChIKey of ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is XIHRIUXMJXYVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4/c1-3-22-19(21)18-12(2)24-17-9-8-14(10-15(17)18)23-11-13-6-4-5-7-16(13)20/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate?
ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 328.34 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 854513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).