2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane

C14H23NO2 — CID 171659157

IUPAC2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane
SMILESCCC.OCCOCc1c[nH]c2ccccc12.[H][H]
InChIInChI=1S/C11H13NO2.C3H8.H2/c13-5-6-14-8-9-7-12-11-4-2-1-3-10(9)11;1-3-2;/h1-4,7,12-13H,5-6,8H2;3H2,1-2H3;1H
InChIKeyCNIUQGSKMPSMOQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.34
Rot. Bonds4

About 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane

2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane (PubChem CID 171659157) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane
PubChem CID171659157
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane
SMILESCCC.OCCOCc1c[nH]c2ccccc12.[H][H]
InChIInChI=1S/C11H13NO2.C3H8.H2/c13-5-6-14-8-9-7-12-11-4-2-1-3-10(9)11;1-3-2;/h1-4,7,12-13H,5-6,8H2;3H2,1-2H3;1H
InChIKeyCNIUQGSKMPSMOQ-UHFFFAOYSA-N
XLogP3.34
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(octacosoxymethyl)-1H-indole
CID 11512197
3-(2-butoxyethoxymethyl)-1H-indole
CID 170026561
ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole
CID 162382666
3-ethyl-1H-indole;methanamine
CID 142222050
3-[2-(methoxymethoxy)ethyl]-1H-indole
CID 15147146
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
3-heptyl-1H-indole
CID 15360907
(1H-indol-3-ylmethylamino)methanol
CID 115228988
3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen
CID 145378179
[2-(1H-indol-3-yl)acetyl] butanoate
CID 175230662
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane?
The IUPAC name of 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane (CID 171659157) is 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane.
What is the SMILES notation for 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane?
The canonical SMILES for 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane is CCC.OCCOCc1c[nH]c2ccccc12.[H][H].
What is the InChIKey of 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane?
The InChIKey is CNIUQGSKMPSMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C3H8.H2/c13-5-6-14-8-9-7-12-11-4-2-1-3-10(9)11;1-3-2;/h1-4,7,12-13H,5-6,8H2;3H2,1-2H3;1H.
What are the key properties of 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane?
2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane has a molecular weight of 237.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane is sourced from PubChem (CID 171659157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).