ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

C18H16O5 — CID 803446

IUPACethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O)cc12
InChIInChI=1S/C18H16O5/c1-3-22-18(20)16-14-10-12(19)6-9-15(14)23-17(16)11-4-7-13(21-2)8-5-11/h4-10,19H,3H2,1-2H3
InChIKeyBXQIVOMSRNFTNH-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.99
Rot. Bonds4

About ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate (PubChem CID 803446) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
PubChem CID803446
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Nameethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O)cc12
InChIInChI=1S/C18H16O5/c1-3-22-18(20)16-14-10-12(19)6-9-15(14)23-17(16)11-4-7-13(21-2)8-5-11/h4-10,19H,3H2,1-2H3
InChIKeyBXQIVOMSRNFTNH-UHFFFAOYSA-N
XLogP3.99
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate (CID 803446) is ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O)cc12.
What is the InChIKey of ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
The InChIKey is BXQIVOMSRNFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-3-22-18(20)16-14-10-12(19)6-9-15(14)23-17(16)11-4-7-13(21-2)8-5-11/h4-10,19H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 803446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).