methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate

C14H10O4 — CID 10354359

IUPACmethyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate
SMILESCOC(=O)c1c(O)c2ccccc2c2occc12
InChIInChI=1S/C14H10O4/c1-17-14(16)11-10-6-7-18-13(10)9-5-3-2-4-8(9)12(11)15/h2-7,15H,1H3
InChIKeyAFMYCYWCHKTNNE-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.08
Rot. Bonds1

About methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate

methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate (PubChem CID 10354359) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate
PubChem CID10354359
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Namemethyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate
SMILESCOC(=O)c1c(O)c2ccccc2c2occc12
InChIInChI=1S/C14H10O4/c1-17-14(16)11-10-6-7-18-13(10)9-5-3-2-4-8(9)12(11)15/h2-7,15H,1H3
InChIKeyAFMYCYWCHKTNNE-UHFFFAOYSA-N
XLogP3.08
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate?
The IUPAC name of methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate (CID 10354359) is methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate?
The canonical SMILES for methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate is COC(=O)c1c(O)c2ccccc2c2occc12.
What is the InChIKey of methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate?
The InChIKey is AFMYCYWCHKTNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-17-14(16)11-10-6-7-18-13(10)9-5-3-2-4-8(9)12(11)15/h2-7,15H,1H3.
What are the key properties of methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate?
methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxybenzo[g][1]benzofuran-4-carboxylate is sourced from PubChem (CID 10354359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).