6-phenyl-5H-[1,3]dioxolo[4,5-f]indole

C15H11NO2 — CID 4067102

IUPAC6-phenyl-5H-[1,3]dioxolo[4,5-f]indole
SMILESc1ccc(-c2cc3cc4c(cc3[nH]2)OCO4)cc1
InChIInChI=1S/C15H11NO2/c1-2-4-10(5-3-1)12-6-11-7-14-15(18-9-17-14)8-13(11)16-12/h1-8,16H,9H2
InChIKeyOURPDRQDIRKULF-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.56
Rot. Bonds1

About 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole

6-phenyl-5H-[1,3]dioxolo[4,5-f]indole (PubChem CID 4067102) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name6-phenyl-5H-[1,3]dioxolo[4,5-f]indole
PubChem CID4067102
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name6-phenyl-5H-[1,3]dioxolo[4,5-f]indole
SMILESc1ccc(-c2cc3cc4c(cc3[nH]2)OCO4)cc1
InChIInChI=1S/C15H11NO2/c1-2-4-10(5-3-1)12-6-11-7-14-15(18-9-17-14)8-13(11)16-12/h1-8,16H,9H2
InChIKeyOURPDRQDIRKULF-UHFFFAOYSA-N
XLogP3.56
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole (CID 4067102) is 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole is c1ccc(-c2cc3cc4c(cc3[nH]2)OCO4)cc1.
What is the InChIKey of 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole?
The InChIKey is OURPDRQDIRKULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-2-4-10(5-3-1)12-6-11-7-14-15(18-9-17-14)8-13(11)16-12/h1-8,16H,9H2.
What are the key properties of 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole?
6-phenyl-5H-[1,3]dioxolo[4,5-f]indole has a molecular weight of 237.26 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 4067102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).