3-amino-5-(oxan-4-ylmethoxy)phenol

C12H17NO3 — CID 89063810

IUPAC3-amino-5-(oxan-4-ylmethoxy)phenol
SMILESNc1cc(O)cc(OCC2CCOCC2)c1
InChIInChI=1S/C12H17NO3/c13-10-5-11(14)7-12(6-10)16-8-9-1-3-15-4-2-9/h5-7,9,14H,1-4,8,13H2
InChIKeyVGTSFENTESAQIN-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-5-(oxan-4-ylmethoxy)phenol

3-amino-5-(oxan-4-ylmethoxy)phenol (PubChem CID 89063810) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-amino-5-(oxan-4-ylmethoxy)phenol.

Molecular Properties

Compound Name3-amino-5-(oxan-4-ylmethoxy)phenol
PubChem CID89063810
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-amino-5-(oxan-4-ylmethoxy)phenol
SMILESNc1cc(O)cc(OCC2CCOCC2)c1
InChIInChI=1S/C12H17NO3/c13-10-5-11(14)7-12(6-10)16-8-9-1-3-15-4-2-9/h5-7,9,14H,1-4,8,13H2
InChIKeyVGTSFENTESAQIN-UHFFFAOYSA-N
XLogP1.78
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(oxan-4-ylmethoxy)phenol?
The IUPAC name of 3-amino-5-(oxan-4-ylmethoxy)phenol (CID 89063810) is 3-amino-5-(oxan-4-ylmethoxy)phenol.
What is the SMILES notation for 3-amino-5-(oxan-4-ylmethoxy)phenol?
The canonical SMILES for 3-amino-5-(oxan-4-ylmethoxy)phenol is Nc1cc(O)cc(OCC2CCOCC2)c1.
What is the InChIKey of 3-amino-5-(oxan-4-ylmethoxy)phenol?
The InChIKey is VGTSFENTESAQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c13-10-5-11(14)7-12(6-10)16-8-9-1-3-15-4-2-9/h5-7,9,14H,1-4,8,13H2.
What are the key properties of 3-amino-5-(oxan-4-ylmethoxy)phenol?
3-amino-5-(oxan-4-ylmethoxy)phenol has a molecular weight of 223.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(oxan-4-ylmethoxy)phenol is sourced from PubChem (CID 89063810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).