1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole

C22H27NO2 — CID 71073417

IUPAC1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole
SMILESCCC(C)c1ccc(OCCOCCn2ccc3ccccc32)cc1
InChIInChI=1S/C22H27NO2/c1-3-18(2)19-8-10-21(11-9-19)25-17-16-24-15-14-23-13-12-20-6-4-5-7-22(20)23/h4-13,18H,3,14-17H2,1-2H3
InChIKeyUYORXFUYFZTIOI-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.25
Rot. Bonds9

About 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole

1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole (PubChem CID 71073417) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole.

Molecular Properties

Compound Name1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole
PubChem CID71073417
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole
SMILESCCC(C)c1ccc(OCCOCCn2ccc3ccccc32)cc1
InChIInChI=1S/C22H27NO2/c1-3-18(2)19-8-10-21(11-9-19)25-17-16-24-15-14-23-13-12-20-6-4-5-7-22(20)23/h4-13,18H,3,14-17H2,1-2H3
InChIKeyUYORXFUYFZTIOI-UHFFFAOYSA-N
XLogP5.25
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934641
(2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol
CID 10427312
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
2-(4-bromophenyl)-1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazole
CID 17001214
5-propan-2-yloxy-1-(2-propoxyethyl)indole
CID 106458095
(2R)-1-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
CID 129457750
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(methoxymethyl)benzimidazole
CID 16996938
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998217
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 17000955
3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 55580848

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole?
The IUPAC name of 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole (CID 71073417) is 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole.
What is the SMILES notation for 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole?
The canonical SMILES for 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole is CCC(C)c1ccc(OCCOCCn2ccc3ccccc32)cc1.
What is the InChIKey of 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole?
The InChIKey is UYORXFUYFZTIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-18(2)19-8-10-21(11-9-19)25-17-16-24-15-14-23-13-12-20-6-4-5-7-22(20)23/h4-13,18H,3,14-17H2,1-2H3.
What are the key properties of 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole?
1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole has a molecular weight of 337.46 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole is sourced from PubChem (CID 71073417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).