6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole

C19H19NO2 — CID 91088145

IUPAC6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole
SMILESc1cc2ccc(OCCOc3ccc4c(c3)CCC4)cc2[nH]1
InChIInChI=1S/C19H19NO2/c1-2-14-4-6-17(12-16(14)3-1)21-10-11-22-18-7-5-15-8-9-20-19(15)13-18/h4-9,12-13,20H,1-3,10-11H2
InChIKeyKYMKTXSHOIEOQZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.11
Rot. Bonds5

About 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole

6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole (PubChem CID 91088145) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole.

Molecular Properties

Compound Name6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole
PubChem CID91088145
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole
SMILESc1cc2ccc(OCCOc3ccc4c(c3)CCC4)cc2[nH]1
InChIInChI=1S/C19H19NO2/c1-2-14-4-6-17(12-16(14)3-1)21-10-11-22-18-7-5-15-8-9-20-19(15)13-18/h4-9,12-13,20H,1-3,10-11H2
InChIKeyKYMKTXSHOIEOQZ-UHFFFAOYSA-N
XLogP4.11
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine
CID 26192461
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]pentan-1-amine
CID 82353669
6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole
CID 90742823
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 63457392
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine
CID 82085160
5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole
CID 82089026
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole?
The IUPAC name of 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole (CID 91088145) is 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole.
What is the SMILES notation for 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole?
The canonical SMILES for 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole is c1cc2ccc(OCCOc3ccc4c(c3)CCC4)cc2[nH]1.
What is the InChIKey of 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole?
The InChIKey is KYMKTXSHOIEOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-14-4-6-17(12-16(14)3-1)21-10-11-22-18-7-5-15-8-9-20-19(15)13-18/h4-9,12-13,20H,1-3,10-11H2.
What are the key properties of 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole?
6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole has a molecular weight of 293.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole is sourced from PubChem (CID 91088145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).