ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate

C16H14O4 — CID 678599

IUPACethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12
InChIInChI=1S/C16H14O4/c1-3-19-16(18)14-9(2)20-15-11-7-5-4-6-10(11)13(17)8-12(14)15/h4-8,17H,3H2,1-2H3
InChIKeyNAYMIPUFIQUKOS-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.78
Rot. Bonds2

About ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate

ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate (PubChem CID 678599) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
PubChem CID678599
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Nameethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12
InChIInChI=1S/C16H14O4/c1-3-19-16(18)14-9(2)20-15-11-7-5-4-6-10(11)13(17)8-12(14)15/h4-8,17H,3H2,1-2H3
InChIKeyNAYMIPUFIQUKOS-UHFFFAOYSA-N
XLogP3.78
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.78
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-methylbenzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate (CID 678599) is ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12.
What is the InChIKey of ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate?
The InChIKey is NAYMIPUFIQUKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-3-19-16(18)14-9(2)20-15-11-7-5-4-6-10(11)13(17)8-12(14)15/h4-8,17H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate?
ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 678599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).