3-(3-aminophenyl)oxolan-3-ol

C10H13NO2 — CID 105437970

IUPAC3-(3-aminophenyl)oxolan-3-ol
SMILESNc1cccc(C2(O)CCOC2)c1
InChIInChI=1S/C10H13NO2/c11-9-3-1-2-8(6-9)10(12)4-5-13-7-10/h1-3,6,12H,4-5,7,11H2
InChIKeyYJEDSSIOJZPRJE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.88
Rot. Bonds1

About 3-(3-aminophenyl)oxolan-3-ol

3-(3-aminophenyl)oxolan-3-ol (PubChem CID 105437970) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(3-aminophenyl)oxolan-3-ol.

Molecular Properties

Compound Name3-(3-aminophenyl)oxolan-3-ol
PubChem CID105437970
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(3-aminophenyl)oxolan-3-ol
SMILESNc1cccc(C2(O)CCOC2)c1
InChIInChI=1S/C10H13NO2/c11-9-3-1-2-8(6-9)10(12)4-5-13-7-10/h1-3,6,12H,4-5,7,11H2
InChIKeyYJEDSSIOJZPRJE-UHFFFAOYSA-N
XLogP0.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylphenyl)oxolan-3-ol
CID 63331929
3-naphthalen-2-yloxolan-3-ol
CID 63331722
3-(3-fluorooxan-3-yl)aniline
CID 105448971
3-(1-aminocyclopentyl)aniline
CID 117047301
3-(2-phenyl-4-pyridinyl)oxolan-3-ol
CID 123646297
3-quinolin-7-yloxolan-3-ol
CID 81216118
3-[(3-aminophenyl)methyl]oxan-3-ol
CID 105460368
1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone
CID 105475536
4-(2-amino-4-pyridinyl)oxan-4-ol
CID 155349774
3-(3-aminophenyl)-1-ethylpiperidin-3-ol
CID 25223580
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
3-thiophen-2-yloxolan-3-ol
CID 63331558

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)oxolan-3-ol?
The IUPAC name of 3-(3-aminophenyl)oxolan-3-ol (CID 105437970) is 3-(3-aminophenyl)oxolan-3-ol.
What is the SMILES notation for 3-(3-aminophenyl)oxolan-3-ol?
The canonical SMILES for 3-(3-aminophenyl)oxolan-3-ol is Nc1cccc(C2(O)CCOC2)c1.
What is the InChIKey of 3-(3-aminophenyl)oxolan-3-ol?
The InChIKey is YJEDSSIOJZPRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-9-3-1-2-8(6-9)10(12)4-5-13-7-10/h1-3,6,12H,4-5,7,11H2.
What are the key properties of 3-(3-aminophenyl)oxolan-3-ol?
3-(3-aminophenyl)oxolan-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)oxolan-3-ol is sourced from PubChem (CID 105437970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).