5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole

C17H17NO2 — CID 102460562

IUPAC5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole
SMILESCN1c2ccccc2C2(c3ccccc3)OCCOC12
InChIInChI=1S/C17H17NO2/c1-18-15-10-6-5-9-14(15)17(13-7-3-2-4-8-13)16(18)19-11-12-20-17/h2-10,16H,11-12H2,1H3
InChIKeyRKIXSLQPUTTZMF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.75
Rot. Bonds1

About 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole

5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole (PubChem CID 102460562) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole.

Molecular Properties

Compound Name5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole
PubChem CID102460562
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole
SMILESCN1c2ccccc2C2(c3ccccc3)OCCOC12
InChIInChI=1S/C17H17NO2/c1-18-15-10-6-5-9-14(15)17(13-7-3-2-4-8-13)16(18)19-11-12-20-17/h2-10,16H,11-12H2,1H3
InChIKeyRKIXSLQPUTTZMF-UHFFFAOYSA-N
XLogP2.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole?
The IUPAC name of 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole (CID 102460562) is 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole.
What is the SMILES notation for 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole?
The canonical SMILES for 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole is CN1c2ccccc2C2(c3ccccc3)OCCOC12.
What is the InChIKey of 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole?
The InChIKey is RKIXSLQPUTTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18-15-10-6-5-9-14(15)17(13-7-3-2-4-8-13)16(18)19-11-12-20-17/h2-10,16H,11-12H2,1H3.
What are the key properties of 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole?
5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole has a molecular weight of 267.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole is sourced from PubChem (CID 102460562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).