1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole

C18H15NO — CID 157483251

IUPAC1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole
SMILESCc1c(-c2ccccc2)c2oc3ccccc3c2n1C
InChIInChI=1S/C18H15NO/c1-12-16(13-8-4-3-5-9-13)18-17(19(12)2)14-10-6-7-11-15(14)20-18/h3-11H,1-2H3
InChIKeyIHHTZWOFKIUKNW-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.90
Rot. Bonds1

About 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole

1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole (PubChem CID 157483251) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole.

Molecular Properties

Compound Name1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole
PubChem CID157483251
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole
SMILESCc1c(-c2ccccc2)c2oc3ccccc3c2n1C
InChIInChI=1S/C18H15NO/c1-12-16(13-8-4-3-5-9-13)18-17(19(12)2)14-10-6-7-11-15(14)20-18/h3-11H,1-2H3
InChIKeyIHHTZWOFKIUKNW-UHFFFAOYSA-N
XLogP4.90
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-[1]benzofuro[3,2-b]pyrrol-3-amine
CID 130322219
1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
CID 158099360
11-methyl-6-phenyl-[1]benzofuro[3,2-b]carbazole
CID 169027972
15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
CID 118370842
1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
CID 158308233
2,3-dimethyl-4-phenylisoquinolin-1-one;ethane
CID 142130095
N,4-dimethyl-3-phenylchromen-2-imine
CID 101413189
11-phenyl-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 143805499
1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 155977216
2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol
CID 121360558
CID 59413465
CID 59413465
12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 166832183

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole?
The IUPAC name of 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole (CID 157483251) is 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole.
What is the SMILES notation for 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole?
The canonical SMILES for 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole is Cc1c(-c2ccccc2)c2oc3ccccc3c2n1C.
What is the InChIKey of 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole?
The InChIKey is IHHTZWOFKIUKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-12-16(13-8-4-3-5-9-13)18-17(19(12)2)14-10-6-7-11-15(14)20-18/h3-11H,1-2H3.
What are the key properties of 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole?
1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole has a molecular weight of 261.32 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole is sourced from PubChem (CID 157483251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).