4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one

C20H21NO2 — CID 175853816

IUPAC4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCCc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C20H21NO2/c1-15(22)2-3-16-4-7-19(8-5-16)23-13-11-17-6-9-20-18(14-17)10-12-21-20/h4-10,12,14,21H,2-3,11,13H2,1H3
InChIKeyUBBCZUZCZZRCOH-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.31
Rot. Bonds7

About 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one

4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one (PubChem CID 175853816) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one
PubChem CID175853816
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCCc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C20H21NO2/c1-15(22)2-3-16-4-7-19(8-5-16)23-13-11-17-6-9-20-18(14-17)10-12-21-20/h4-10,12,14,21H,2-3,11,13H2,1H3
InChIKeyUBBCZUZCZZRCOH-UHFFFAOYSA-N
XLogP4.31
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
4-[4-(5-chloropentoxy)phenyl]butan-2-one
CID 43168524
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide
CID 166200331
methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030
4-[4-(3-methylsulfanylpropoxy)phenyl]butan-2-one
CID 115650921
2-(1H-indol-5-yl)ethylperoxyphosphinous acid
CID 163564791
methyl (2S)-2-[3-(1H-indol-5-yl)propanoylamino]propanoate
CID 84598942
4-(4-pent-3-ynoxyphenyl)butan-2-one
CID 104743737
5-[4-(2-methoxyethoxy)phenyl]-1H-indole
CID 66820304

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one?
The IUPAC name of 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one (CID 175853816) is 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one is CC(=O)CCc1ccc(OCCc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one?
The InChIKey is UBBCZUZCZZRCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15(22)2-3-16-4-7-19(8-5-16)23-13-11-17-6-9-20-18(14-17)10-12-21-20/h4-10,12,14,21H,2-3,11,13H2,1H3.
What are the key properties of 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one?
4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one has a molecular weight of 307.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one is sourced from PubChem (CID 175853816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).