5-[4-(2-methoxyethoxy)phenyl]-1H-indole

C17H17NO2 — CID 66820304

IUPAC5-[4-(2-methoxyethoxy)phenyl]-1H-indole
SMILESCOCCOc1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H17NO2/c1-19-10-11-20-16-5-2-13(3-6-16)14-4-7-17-15(12-14)8-9-18-17/h2-9,12,18H,10-11H2,1H3
InChIKeyFSXXRQQSDKMGGS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.86
Rot. Bonds5

About 5-[4-(2-methoxyethoxy)phenyl]-1H-indole

5-[4-(2-methoxyethoxy)phenyl]-1H-indole (PubChem CID 66820304) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[4-(2-methoxyethoxy)phenyl]-1H-indole.

Molecular Properties

Compound Name5-[4-(2-methoxyethoxy)phenyl]-1H-indole
PubChem CID66820304
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-[4-(2-methoxyethoxy)phenyl]-1H-indole
SMILESCOCCOc1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H17NO2/c1-19-10-11-20-16-5-2-13(3-6-16)14-4-7-17-15(12-14)8-9-18-17/h2-9,12,18H,10-11H2,1H3
InChIKeyFSXXRQQSDKMGGS-UHFFFAOYSA-N
XLogP3.86
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.86
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-[2-(4-bromophenoxy)ethoxy]-1H-indole
CID 80640825
2-(2-methoxyethoxy)-6-phenylnaphthalene
CID 139902348
5-heptoxy-1H-indole
CID 80642434
5-(2-ethylsulfanylethoxy)-1H-indole
CID 115967778
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 72927700
5-(4-tert-butylphenyl)-1H-indole
CID 16768580
3-(1H-indol-5-yloxy)propan-1-amine
CID 84662713
1-[4-(1H-indol-5-yl)phenyl]ethanone
CID 82039796
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
CID 126475199

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethoxy)phenyl]-1H-indole?
The IUPAC name of 5-[4-(2-methoxyethoxy)phenyl]-1H-indole (CID 66820304) is 5-[4-(2-methoxyethoxy)phenyl]-1H-indole.
What is the SMILES notation for 5-[4-(2-methoxyethoxy)phenyl]-1H-indole?
The canonical SMILES for 5-[4-(2-methoxyethoxy)phenyl]-1H-indole is COCCOc1ccc(-c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[4-(2-methoxyethoxy)phenyl]-1H-indole?
The InChIKey is FSXXRQQSDKMGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-19-10-11-20-16-5-2-13(3-6-16)14-4-7-17-15(12-14)8-9-18-17/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 5-[4-(2-methoxyethoxy)phenyl]-1H-indole?
5-[4-(2-methoxyethoxy)phenyl]-1H-indole has a molecular weight of 267.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethoxy)phenyl]-1H-indole is sourced from PubChem (CID 66820304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).