4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol

C15H21NO3 — CID 155203686

IUPAC4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol
SMILESOCCCCOC(O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21NO3/c17-9-3-4-10-19-15(18)8-7-12-11-16-14-6-2-1-5-13(12)14/h1-2,5-6,11,15-18H,3-4,7-10H2
InChIKeyJZLZPYWMJPHAEU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds8

About 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol

4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol (PubChem CID 155203686) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol.

Molecular Properties

Compound Name4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol
PubChem CID155203686
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol
SMILESOCCCCOC(O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21NO3/c17-9-3-4-10-19-15(18)8-7-12-11-16-14-6-2-1-5-13(12)14/h1-2,5-6,11,15-18H,3-4,7-10H2
InChIKeyJZLZPYWMJPHAEU-UHFFFAOYSA-N
XLogP2.21
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-hexoxy-3-naphthalen-1-ylpropan-1-ol
CID 54384522
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol
CID 57297566
3-(1H-indol-3-yl)propyl dihydrogen phosphate
CID 3713
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
CID 153326321
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol?
The IUPAC name of 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol (CID 155203686) is 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol.
What is the SMILES notation for 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol?
The canonical SMILES for 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol is OCCCCOC(O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol?
The InChIKey is JZLZPYWMJPHAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-9-3-4-10-19-15(18)8-7-12-11-16-14-6-2-1-5-13(12)14/h1-2,5-6,11,15-18H,3-4,7-10H2.
What are the key properties of 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol?
4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol is sourced from PubChem (CID 155203686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).