5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole

C21H23F2NO — CID 174559186

IUPAC5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole
SMILESCCC(CC)Cn1ccc2cc(-c3ccc(OC(F)F)cc3)ccc21
InChIInChI=1S/C21H23F2NO/c1-3-15(4-2)14-24-12-11-18-13-17(7-10-20(18)24)16-5-8-19(9-6-16)25-21(22)23/h5-13,15,21H,3-4,14H2,1-2H3
InChIKeyAXDVLQYJJVULNZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP6.35
Rot. Bonds7

About 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole

5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole (PubChem CID 174559186) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole
PubChem CID174559186
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole
SMILESCCC(CC)Cn1ccc2cc(-c3ccc(OC(F)F)cc3)ccc21
InChIInChI=1S/C21H23F2NO/c1-3-15(4-2)14-24-12-11-18-13-17(7-10-20(18)24)16-5-8-19(9-6-16)25-21(22)23/h5-13,15,21H,3-4,14H2,1-2H3
InChIKeyAXDVLQYJJVULNZ-UHFFFAOYSA-N
XLogP6.35
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.42
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1-(2-methylbutyl)indole
CID 116619323
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
5-bromo-1-(2-ethylbutyl)indole;[4-(trifluoromethoxy)phenyl]boronic acid
CID 160540355
2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane
CID 175349192
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
CID 80649265
3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine
CID 103366538
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 95552944
1-(difluoromethoxy)-4-(3-propylphenyl)benzene
CID 67565840
6-(4-methoxyphenyl)-1-propylindole
CID 91452134
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole (CID 174559186) is 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole is CCC(CC)Cn1ccc2cc(-c3ccc(OC(F)F)cc3)ccc21.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole?
The InChIKey is AXDVLQYJJVULNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO/c1-3-15(4-2)14-24-12-11-18-13-17(7-10-20(18)24)16-5-8-19(9-6-16)25-21(22)23/h5-13,15,21H,3-4,14H2,1-2H3.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole?
5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole has a molecular weight of 343.42 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole is sourced from PubChem (CID 174559186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).