4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol

C10H13NO2 — CID 131701513

IUPAC4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol
SMILESOc1ccc(N[C@@H]2CC[C@H]2O)cc1
InChIInChI=1S/C10H13NO2/c12-8-3-1-7(2-4-8)11-9-5-6-10(9)13/h1-4,9-13H,5-6H2/t9-,10-/m1/s1
InChIKeyALJRQJIJURCJKL-NXEZZACHSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds2

About 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol

4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol (PubChem CID 131701513) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol.

Molecular Properties

Compound Name4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol
PubChem CID131701513
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol
SMILESOc1ccc(N[C@@H]2CC[C@H]2O)cc1
InChIInChI=1S/C10H13NO2/c12-8-3-1-7(2-4-8)11-9-5-6-10(9)13/h1-4,9-13H,5-6H2/t9-,10-/m1/s1
InChIKeyALJRQJIJURCJKL-NXEZZACHSA-N
XLogP1.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol?
The IUPAC name of 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol (CID 131701513) is 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol.
What is the SMILES notation for 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol?
The canonical SMILES for 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol is Oc1ccc(N[C@@H]2CC[C@H]2O)cc1.
What is the InChIKey of 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol?
The InChIKey is ALJRQJIJURCJKL-NXEZZACHSA-N. The full InChI is InChI=1S/C10H13NO2/c12-8-3-1-7(2-4-8)11-9-5-6-10(9)13/h1-4,9-13H,5-6H2/t9-,10-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol?
4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol has a molecular weight of 179.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol is sourced from PubChem (CID 131701513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).