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

C23H18O4 — CID 24818789

IUPACbenzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCOc1ccc(-c2oc3ccccc3c2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H18O4/c1-25-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)27-22)23(24)26-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyZTHFYDGBDMYKAJ-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.47
Rot. Bonds5

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

benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate (PubChem CID 24818789) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
PubChem CID24818789
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Namebenzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCOc1ccc(-c2oc3ccccc3c2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H18O4/c1-25-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)27-22)23(24)26-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyZTHFYDGBDMYKAJ-UHFFFAOYSA-N
XLogP5.47
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
The IUPAC name of benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate (CID 24818789) is benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate.
What is the SMILES notation for benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
The canonical SMILES for benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate is COc1ccc(-c2oc3ccccc3c2C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
The InChIKey is ZTHFYDGBDMYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4/c1-25-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)27-22)23(24)26-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate?
benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 24818789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).