3-(1-aminocyclobutyl)phenol

C10H13NO — CID 82596466

IUPAC3-(1-aminocyclobutyl)phenol
SMILESNC1(c2cccc(O)c2)CCC1
InChIInChI=1S/C10H13NO/c11-10(5-2-6-10)8-3-1-4-9(12)7-8/h1,3-4,7,12H,2,5-6,11H2
InChIKeyOQYLXESVZFVVTJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.73
Rot. Bonds1

About 3-(1-aminocyclobutyl)phenol

3-(1-aminocyclobutyl)phenol (PubChem CID 82596466) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(1-aminocyclobutyl)phenol.

Molecular Properties

Compound Name3-(1-aminocyclobutyl)phenol
PubChem CID82596466
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-(1-aminocyclobutyl)phenol
SMILESNC1(c2cccc(O)c2)CCC1
InChIInChI=1S/C10H13NO/c11-10(5-2-6-10)8-3-1-4-9(12)7-8/h1,3-4,7,12H,2,5-6,11H2
InChIKeyOQYLXESVZFVVTJ-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclobutyl)phenol?
The IUPAC name of 3-(1-aminocyclobutyl)phenol (CID 82596466) is 3-(1-aminocyclobutyl)phenol.
What is the SMILES notation for 3-(1-aminocyclobutyl)phenol?
The canonical SMILES for 3-(1-aminocyclobutyl)phenol is NC1(c2cccc(O)c2)CCC1.
What is the InChIKey of 3-(1-aminocyclobutyl)phenol?
The InChIKey is OQYLXESVZFVVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-10(5-2-6-10)8-3-1-4-9(12)7-8/h1,3-4,7,12H,2,5-6,11H2.
What are the key properties of 3-(1-aminocyclobutyl)phenol?
3-(1-aminocyclobutyl)phenol has a molecular weight of 163.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclobutyl)phenol is sourced from PubChem (CID 82596466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).