1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol

C19H21NO2 — CID 139632843

IUPAC1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccccc1CCc1cccc2[nH]ccc12
InChIInChI=1S/C19H21NO2/c1-14(21)13-22-19-8-3-2-5-16(19)10-9-15-6-4-7-18-17(15)11-12-20-18/h2-8,11-12,14,20-21H,9-10,13H2,1H3
InChIKeyNDLMXUFVMDJYAT-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.71
Rot. Bonds6

About 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol

1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol (PubChem CID 139632843) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol
PubChem CID139632843
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccccc1CCc1cccc2[nH]ccc12
InChIInChI=1S/C19H21NO2/c1-14(21)13-22-19-8-3-2-5-16(19)10-9-15-6-4-7-18-17(15)11-12-20-18/h2-8,11-12,14,20-21H,9-10,13H2,1H3
InChIKeyNDLMXUFVMDJYAT-UHFFFAOYSA-N
XLogP3.71
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-(2-octylphenoxy)propan-2-ol
CID 142740915
2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide
CID 21273611
but-2-enedioic acid;1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(propylamino)propan-2-ol
CID 53446663
but-2-enedioate;1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(propylamino)propan-2-ol
CID 53422007
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
CID 3066297
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
N-(2-ethoxyphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160274
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
1-[2-(2-methylbutyl)phenoxy]propan-2-ol
CID 59277976

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol (CID 139632843) is 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol is CC(O)COc1ccccc1CCc1cccc2[nH]ccc12.
What is the InChIKey of 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol?
The InChIKey is NDLMXUFVMDJYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(21)13-22-19-8-3-2-5-16(19)10-9-15-6-4-7-18-17(15)11-12-20-18/h2-8,11-12,14,20-21H,9-10,13H2,1H3.
What are the key properties of 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol?
1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 139632843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).