2-amino-3-(oxan-3-yloxy)phenol

C11H15NO3 — CID 107134115

IUPAC2-amino-3-(oxan-3-yloxy)phenol
SMILESNc1c(O)cccc1OC1CCCOC1
InChIInChI=1S/C11H15NO3/c12-11-9(13)4-1-5-10(11)15-8-3-2-6-14-7-8/h1,4-5,8,13H,2-3,6-7,12H2
InChIKeyBPMIFADKKNWKGS-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-3-(oxan-3-yloxy)phenol

2-amino-3-(oxan-3-yloxy)phenol (PubChem CID 107134115) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-(oxan-3-yloxy)phenol.

Molecular Properties

Compound Name2-amino-3-(oxan-3-yloxy)phenol
PubChem CID107134115
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-amino-3-(oxan-3-yloxy)phenol
SMILESNc1c(O)cccc1OC1CCCOC1
InChIInChI=1S/C11H15NO3/c12-11-9(13)4-1-5-10(11)15-8-3-2-6-14-7-8/h1,4-5,8,13H,2-3,6-7,12H2
InChIKeyBPMIFADKKNWKGS-UHFFFAOYSA-N
XLogP1.53
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-(oxan-3-yloxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(oxan-3-yloxy)phenol
CID 107135241
3-naphthalen-1-yloxyoxane
CID 107137916
2-amino-3-(oxolan-3-yloxy)benzoic acid
CID 115547271
2-methyl-3-(oxolan-3-yloxy)phenol
CID 63556982
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117404865
2-methoxy-3-(oxan-3-yloxy)benzoic acid
CID 115005205
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
1-[[2-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374038
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
CID 107135067

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxan-3-yloxy)phenol?
The IUPAC name of 2-amino-3-(oxan-3-yloxy)phenol (CID 107134115) is 2-amino-3-(oxan-3-yloxy)phenol.
What is the SMILES notation for 2-amino-3-(oxan-3-yloxy)phenol?
The canonical SMILES for 2-amino-3-(oxan-3-yloxy)phenol is Nc1c(O)cccc1OC1CCCOC1.
What is the InChIKey of 2-amino-3-(oxan-3-yloxy)phenol?
The InChIKey is BPMIFADKKNWKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c12-11-9(13)4-1-5-10(11)15-8-3-2-6-14-7-8/h1,4-5,8,13H,2-3,6-7,12H2.
What are the key properties of 2-amino-3-(oxan-3-yloxy)phenol?
2-amino-3-(oxan-3-yloxy)phenol has a molecular weight of 209.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxan-3-yloxy)phenol is sourced from PubChem (CID 107134115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).