ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate

C18H15FO5 — CID 13343691

IUPACethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(C(=O)c3ccccc3F)c(O)cc2O1
InChIInChI=1S/C18H15FO5/c1-2-23-18(22)16-8-10-7-12(14(20)9-15(10)24-16)17(21)11-5-3-4-6-13(11)19/h3-7,9,16,20H,2,8H2,1H3
InChIKeyJBXUULOSLKFHRH-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.63
Rot. Bonds4

About ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate

ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 13343691) has the molecular formula C18H15FO5 and a molecular weight of 330.31 g/mol. Its IUPAC name is ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID13343691
Molecular FormulaC18H15FO5
Molecular Weight330.31 g/mol
Exact Mass330.09
IUPAC Nameethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(C(=O)c3ccccc3F)c(O)cc2O1
InChIInChI=1S/C18H15FO5/c1-2-23-18(22)16-8-10-7-12(14(20)9-15(10)24-16)17(21)11-5-3-4-6-13(11)19/h3-7,9,16,20H,2,8H2,1H3
InChIKeyJBXUULOSLKFHRH-UHFFFAOYSA-N
XLogP2.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate (CID 13343691) is ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate is CCOC(=O)C1Cc2cc(C(=O)c3ccccc3F)c(O)cc2O1.
What is the InChIKey of ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is JBXUULOSLKFHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO5/c1-2-23-18(22)16-8-10-7-12(14(20)9-15(10)24-16)17(21)11-5-3-4-6-13(11)19/h3-7,9,16,20H,2,8H2,1H3.
What are the key properties of ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate?
ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 330.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 13343691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).