1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole

C22H27NO — CID 110831226

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole
SMILESCCc1ccc2c(ccn2CCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H27NO/c1-5-17-6-11-21-18(16-17)12-13-23(21)14-15-24-20-9-7-19(8-10-20)22(2,3)4/h6-13,16H,5,14-15H2,1-4H3
InChIKeyGNRMYQROCODXLY-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.58
Rot. Bonds5

About 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole

1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole (PubChem CID 110831226) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole
PubChem CID110831226
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole
SMILESCCc1ccc2c(ccn2CCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H27NO/c1-5-17-6-11-21-18(16-17)12-13-23(21)14-15-24-20-9-7-19(8-10-20)22(2,3)4/h6-13,16H,5,14-15H2,1-4H3
InChIKeyGNRMYQROCODXLY-UHFFFAOYSA-N
XLogP5.58
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-5-ethylindole
CID 110831210
5-ethyl-1-(2-methoxyethyl)indole
CID 71073272
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine
CID 90244443
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole
CID 116619353
2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile
CID 116625622
1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indole
CID 22032965
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole (CID 110831226) is 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole is CCc1ccc2c(ccn2CCOc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole?
The InChIKey is GNRMYQROCODXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-5-17-6-11-21-18(16-17)12-13-23(21)14-15-24-20-9-7-19(8-10-20)22(2,3)4/h6-13,16H,5,14-15H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole?
1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole has a molecular weight of 321.46 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole is sourced from PubChem (CID 110831226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).