3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole

C18H15NO2 — CID 67668036

IUPAC3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole
SMILESCOc1ccc(C2=C3Oc4ccccc4C3N=C2C)cc1
InChIInChI=1S/C18H15NO2/c1-11-16(12-7-9-13(20-2)10-8-12)18-17(19-11)14-5-3-4-6-15(14)21-18/h3-10,17H,1-2H3
InChIKeyUEOGIKQGHHKVFH-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.01
Rot. Bonds2

About 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole

3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole (PubChem CID 67668036) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole
PubChem CID67668036
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole
SMILESCOc1ccc(C2=C3Oc4ccccc4C3N=C2C)cc1
InChIInChI=1S/C18H15NO2/c1-11-16(12-7-9-13(20-2)10-8-12)18-17(19-11)14-5-3-4-6-15(14)21-18/h3-10,17H,1-2H3
InChIKeyUEOGIKQGHHKVFH-UHFFFAOYSA-N
XLogP4.01
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole (CID 67668036) is 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole is COc1ccc(C2=C3Oc4ccccc4C3N=C2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole?
The InChIKey is UEOGIKQGHHKVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-11-16(12-7-9-13(20-2)10-8-12)18-17(19-11)14-5-3-4-6-15(14)21-18/h3-10,17H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole?
3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole has a molecular weight of 277.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-8bH-[1]benzofuro[3,2-b]pyrrole is sourced from PubChem (CID 67668036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).