10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole

C21H15NO2 — CID 102360866

IUPAC10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole
SMILESCOc1ccc(-n2c3ccccc3c3oc4ccccc4c32)cc1
InChIInChI=1S/C21H15NO2/c1-23-15-12-10-14(11-13-15)22-18-8-4-2-6-16(18)21-20(22)17-7-3-5-9-19(17)24-21/h2-13H,1H3
InChIKeyUTNYZJMPPHDDGA-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.54
Rot. Bonds2

About 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole

10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole (PubChem CID 102360866) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole
PubChem CID102360866
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole
SMILESCOc1ccc(-n2c3ccccc3c3oc4ccccc4c32)cc1
InChIInChI=1S/C21H15NO2/c1-23-15-12-10-14(11-13-15)22-18-8-4-2-6-16(18)21-20(22)17-7-3-5-9-19(17)24-21/h2-13H,1H3
InChIKeyUTNYZJMPPHDDGA-UHFFFAOYSA-N
XLogP5.54
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole (CID 102360866) is 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole is COc1ccc(-n2c3ccccc3c3oc4ccccc4c32)cc1.
What is the InChIKey of 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole?
The InChIKey is UTNYZJMPPHDDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-23-15-12-10-14(11-13-15)22-18-8-4-2-6-16(18)21-20(22)17-7-3-5-9-19(17)24-21/h2-13H,1H3.
What are the key properties of 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole?
10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole has a molecular weight of 313.36 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 102360866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).