3-(4-aminophenoxy)cyclobutan-1-ol

C10H13NO2 — CID 170347103

IUPAC3-(4-aminophenoxy)cyclobutan-1-ol
SMILESNc1ccc(OC2CC(O)C2)cc1
InChIInChI=1S/C10H13NO2/c11-7-1-3-9(4-2-7)13-10-5-8(12)6-10/h1-4,8,10,12H,5-6,11H2
InChIKeyKADLSJPSFLSRSV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.17
Rot. Bonds2

About 3-(4-aminophenoxy)cyclobutan-1-ol

3-(4-aminophenoxy)cyclobutan-1-ol (PubChem CID 170347103) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(4-aminophenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-aminophenoxy)cyclobutan-1-ol
PubChem CID170347103
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(4-aminophenoxy)cyclobutan-1-ol
SMILESNc1ccc(OC2CC(O)C2)cc1
InChIInChI=1S/C10H13NO2/c11-7-1-3-9(4-2-7)13-10-5-8(12)6-10/h1-4,8,10,12H,5-6,11H2
InChIKeyKADLSJPSFLSRSV-UHFFFAOYSA-N
XLogP1.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)cyclobutan-1-ol?
The IUPAC name of 3-(4-aminophenoxy)cyclobutan-1-ol (CID 170347103) is 3-(4-aminophenoxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(4-aminophenoxy)cyclobutan-1-ol?
The canonical SMILES for 3-(4-aminophenoxy)cyclobutan-1-ol is Nc1ccc(OC2CC(O)C2)cc1.
What is the InChIKey of 3-(4-aminophenoxy)cyclobutan-1-ol?
The InChIKey is KADLSJPSFLSRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-7-1-3-9(4-2-7)13-10-5-8(12)6-10/h1-4,8,10,12H,5-6,11H2.
What are the key properties of 3-(4-aminophenoxy)cyclobutan-1-ol?
3-(4-aminophenoxy)cyclobutan-1-ol has a molecular weight of 179.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)cyclobutan-1-ol is sourced from PubChem (CID 170347103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).