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

C25H25NO2 — CID 18351861

IUPAC1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol
SMILESOc1cccc2c1ccn2CCOCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c27-25-13-7-12-24-23(25)14-16-26(24)17-19-28-18-15-22(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-14,16,22,27H,15,17-19H2
InChIKeySQJLWRCEHZJRIH-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.59
Rot. Bonds8

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

1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol (PubChem CID 18351861) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol.

Molecular Properties

Compound Name1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol
PubChem CID18351861
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol
SMILESOc1cccc2c1ccn2CCOCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c27-25-13-7-12-24-23(25)14-16-26(24)17-19-28-18-15-22(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-14,16,22,27H,15,17-19H2
InChIKeySQJLWRCEHZJRIH-UHFFFAOYSA-N
XLogP5.59
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.59
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-(3,3-diphenylpropoxy)ethyl]indol-4-ol?
The IUPAC name of 1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol (CID 18351861) is 1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol.
What is the SMILES notation for 1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol?
The canonical SMILES for 1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol is Oc1cccc2c1ccn2CCOCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol?
The InChIKey is SQJLWRCEHZJRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-25-13-7-12-24-23(25)14-16-26(24)17-19-28-18-15-22(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-14,16,22,27H,15,17-19H2.
What are the key properties of 1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol?
1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol has a molecular weight of 371.48 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol is sourced from PubChem (CID 18351861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).