methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

C17H14O4 — CID 24818787

IUPACmethyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C17H14O4/c1-19-12-9-7-11(8-10-12)16-15(17(18)20-2)13-5-3-4-6-14(13)21-16/h3-10H,1-2H3
InChIKeyZLSZJJJWVPQANC-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.89
Rot. Bonds3

About methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate (PubChem CID 24818787) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
PubChem CID24818787
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Namemethyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C17H14O4/c1-19-12-9-7-11(8-10-12)16-15(17(18)20-2)13-5-3-4-6-14(13)21-16/h3-10H,1-2H3
InChIKeyZLSZJJJWVPQANC-UHFFFAOYSA-N
XLogP3.89
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate (CID 24818787) is methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate is COC(=O)c1c(-c2ccc(OC)cc2)oc2ccccc12.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
The InChIKey is ZLSZJJJWVPQANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-9-7-11(8-10-12)16-15(17(18)20-2)13-5-3-4-6-14(13)21-16/h3-10H,1-2H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 24818787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).