1-[2-(3-phenylpropoxy)ethyl]indol-4-ol

C19H21NO2 — CID 18351773

IUPAC1-[2-(3-phenylpropoxy)ethyl]indol-4-ol
SMILESOc1cccc2c1ccn2CCOCCCc1ccccc1
InChIInChI=1S/C19H21NO2/c21-19-10-4-9-18-17(19)11-12-20(18)13-15-22-14-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,21H,5,8,13-15H2
InChIKeyFYJRTJYUSVCIAF-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.00
Rot. Bonds7

About 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol

1-[2-(3-phenylpropoxy)ethyl]indol-4-ol (PubChem CID 18351773) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol.

Molecular Properties

Compound Name1-[2-(3-phenylpropoxy)ethyl]indol-4-ol
PubChem CID18351773
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[2-(3-phenylpropoxy)ethyl]indol-4-ol
SMILESOc1cccc2c1ccn2CCOCCCc1ccccc1
InChIInChI=1S/C19H21NO2/c21-19-10-4-9-18-17(19)11-12-20(18)13-15-22-14-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,21H,5,8,13-15H2
InChIKeyFYJRTJYUSVCIAF-UHFFFAOYSA-N
XLogP4.00
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol?
The IUPAC name of 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol (CID 18351773) is 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol.
What is the SMILES notation for 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol?
The canonical SMILES for 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol is Oc1cccc2c1ccn2CCOCCCc1ccccc1.
What is the InChIKey of 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol?
The InChIKey is FYJRTJYUSVCIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19-10-4-9-18-17(19)11-12-20(18)13-15-22-14-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,21H,5,8,13-15H2.
What are the key properties of 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol?
1-[2-(3-phenylpropoxy)ethyl]indol-4-ol has a molecular weight of 295.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenylpropoxy)ethyl]indol-4-ol is sourced from PubChem (CID 18351773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).