3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol

C14H13NO3 — CID 22173803

IUPAC3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol
SMILESNc1cccc(O)c1-c1cccc2c1OCCO2
InChIInChI=1S/C14H13NO3/c15-10-4-2-5-11(16)13(10)9-3-1-6-12-14(9)18-8-7-17-12/h1-6,16H,7-8,15H2
InChIKeyGLYWUSNQPOXCOW-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.41
Rot. Bonds1

About 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol

3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol (PubChem CID 22173803) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol.

Molecular Properties

Compound Name3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol
PubChem CID22173803
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol
SMILESNc1cccc(O)c1-c1cccc2c1OCCO2
InChIInChI=1S/C14H13NO3/c15-10-4-2-5-11(16)13(10)9-3-1-6-12-14(9)18-8-7-17-12/h1-6,16H,7-8,15H2
InChIKeyGLYWUSNQPOXCOW-UHFFFAOYSA-N
XLogP2.41
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
2,3-dihydro-1,4-benzodioxin-5-amine;ethane
CID 170590929
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117310663
5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 143319884
8,19-dioxatricyclo[18.4.0.02,7]tetracosa-1(24),2,4,6,20,22-hexaene-3,24-diol
CID 101020602
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096087
7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 153023113
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660825
3-amino-2-(2,5-diaminophenyl)phenol
CID 22173919
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
CID 2795039
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 3628967
3-(2,3-dihydro-1,4-benzodioxin-5-yl)benzaldehyde
CID 151992217

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol?
The IUPAC name of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol (CID 22173803) is 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol.
What is the SMILES notation for 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol?
The canonical SMILES for 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol is Nc1cccc(O)c1-c1cccc2c1OCCO2.
What is the InChIKey of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol?
The InChIKey is GLYWUSNQPOXCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c15-10-4-2-5-11(16)13(10)9-3-1-6-12-14(9)18-8-7-17-12/h1-6,16H,7-8,15H2.
What are the key properties of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol?
3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol has a molecular weight of 243.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol is sourced from PubChem (CID 22173803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).