ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate

C17H14O4 — CID 624750

IUPACethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C17H14O4/c1-2-20-17(19)15-13-10-12(18)8-9-14(13)21-16(15)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
InChIKeyWZZJQHPNLFLEMB-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.98
Rot. Bonds3

About ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate

ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate (PubChem CID 624750) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
PubChem CID624750
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Nameethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C17H14O4/c1-2-20-17(19)15-13-10-12(18)8-9-14(13)21-16(15)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
InChIKeyWZZJQHPNLFLEMB-UHFFFAOYSA-N
XLogP3.98
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate (CID 624750) is ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)cc12.
What is the InChIKey of ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate?
The InChIKey is WZZJQHPNLFLEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-2-20-17(19)15-13-10-12(18)8-9-14(13)21-16(15)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3.
What are the key properties of ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate?
ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 624750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).