4-amino-3-propan-2-yloxyphenol

C9H13NO2 — CID 69025591

IUPAC4-amino-3-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(O)ccc1N
InChIInChI=1S/C9H13NO2/c1-6(2)12-9-5-7(11)3-4-8(9)10/h3-6,11H,10H2,1-2H3
InChIKeyFYQANNGUHADQIM-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.76
Rot. Bonds2

About 4-amino-3-propan-2-yloxyphenol

4-amino-3-propan-2-yloxyphenol (PubChem CID 69025591) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-3-propan-2-yloxyphenol.

Molecular Properties

Compound Name4-amino-3-propan-2-yloxyphenol
PubChem CID69025591
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-amino-3-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(O)ccc1N
InChIInChI=1S/C9H13NO2/c1-6(2)12-9-5-7(11)3-4-8(9)10/h3-6,11H,10H2,1-2H3
InChIKeyFYQANNGUHADQIM-UHFFFAOYSA-N
XLogP1.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-propan-2-yloxyphenol?
The IUPAC name of 4-amino-3-propan-2-yloxyphenol (CID 69025591) is 4-amino-3-propan-2-yloxyphenol.
What is the SMILES notation for 4-amino-3-propan-2-yloxyphenol?
The canonical SMILES for 4-amino-3-propan-2-yloxyphenol is CC(C)Oc1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-propan-2-yloxyphenol?
The InChIKey is FYQANNGUHADQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(2)12-9-5-7(11)3-4-8(9)10/h3-6,11H,10H2,1-2H3.
What are the key properties of 4-amino-3-propan-2-yloxyphenol?
4-amino-3-propan-2-yloxyphenol has a molecular weight of 167.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-propan-2-yloxyphenol is sourced from PubChem (CID 69025591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).