4-[2-(3-phenoxypropylamino)ethoxy]phenol

C17H21NO3 — CID 10684706

IUPAC4-[2-(3-phenoxypropylamino)ethoxy]phenol
SMILESOc1ccc(OCCNCCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO3/c19-15-7-9-17(10-8-15)21-14-12-18-11-4-13-20-16-5-2-1-3-6-16/h1-3,5-10,18-19H,4,11-14H2
InChIKeyKNRRIHFTWQMRNB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.83
Rot. Bonds9

About 4-[2-(3-phenoxypropylamino)ethoxy]phenol

4-[2-(3-phenoxypropylamino)ethoxy]phenol (PubChem CID 10684706) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-(3-phenoxypropylamino)ethoxy]phenol.

Molecular Properties

Compound Name4-[2-(3-phenoxypropylamino)ethoxy]phenol
PubChem CID10684706
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[2-(3-phenoxypropylamino)ethoxy]phenol
SMILESOc1ccc(OCCNCCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO3/c19-15-7-9-17(10-8-15)21-14-12-18-11-4-13-20-16-5-2-1-3-6-16/h1-3,5-10,18-19H,4,11-14H2
InChIKeyKNRRIHFTWQMRNB-UHFFFAOYSA-N
XLogP2.83
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[2-(3-phenoxypropylamino)ethoxy]phenol?
The IUPAC name of 4-[2-(3-phenoxypropylamino)ethoxy]phenol (CID 10684706) is 4-[2-(3-phenoxypropylamino)ethoxy]phenol.
What is the SMILES notation for 4-[2-(3-phenoxypropylamino)ethoxy]phenol?
The canonical SMILES for 4-[2-(3-phenoxypropylamino)ethoxy]phenol is Oc1ccc(OCCNCCCOc2ccccc2)cc1.
What is the InChIKey of 4-[2-(3-phenoxypropylamino)ethoxy]phenol?
The InChIKey is KNRRIHFTWQMRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15-7-9-17(10-8-15)21-14-12-18-11-4-13-20-16-5-2-1-3-6-16/h1-3,5-10,18-19H,4,11-14H2.
What are the key properties of 4-[2-(3-phenoxypropylamino)ethoxy]phenol?
4-[2-(3-phenoxypropylamino)ethoxy]phenol has a molecular weight of 287.36 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenoxypropylamino)ethoxy]phenol is sourced from PubChem (CID 10684706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).