4-amino-3-(oxan-4-yl)phenol

C11H15NO2 — CID 117104375

IUPAC4-amino-3-(oxan-4-yl)phenol
SMILESNc1ccc(O)cc1C1CCOCC1
InChIInChI=1S/C11H15NO2/c12-11-2-1-9(13)7-10(11)8-3-5-14-6-4-8/h1-2,7-8,13H,3-6,12H2
InChIKeyAKMCBRWKHXMFDQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.87
Rot. Bonds1

About 4-amino-3-(oxan-4-yl)phenol

4-amino-3-(oxan-4-yl)phenol (PubChem CID 117104375) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-3-(oxan-4-yl)phenol.

Molecular Properties

Compound Name4-amino-3-(oxan-4-yl)phenol
PubChem CID117104375
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-amino-3-(oxan-4-yl)phenol
SMILESNc1ccc(O)cc1C1CCOCC1
InChIInChI=1S/C11H15NO2/c12-11-2-1-9(13)7-10(11)8-3-5-14-6-4-8/h1-2,7-8,13H,3-6,12H2
InChIKeyAKMCBRWKHXMFDQ-UHFFFAOYSA-N
XLogP1.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.87
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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Related Compounds

3-chloro-4-(oxolan-3-yl)phenol
CID 84668553
3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol
CID 105462722
3-amino-4-piperidin-4-ylphenol
CID 117103751
2-cyclobutylbenzene-1,4-diamine
CID 57027381
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
4-(oxan-4-yl)-2-(trifluoromethyl)aniline
CID 172649951
2-methylsulfanyl-4-(oxan-4-yl)aniline
CID 134507908
2-fluoro-6-(oxan-4-yl)phenol
CID 117104483
3-(oxan-4-yl)-2-propylaniline
CID 156732824
2-chloro-6-(oxan-4-yl)pyridin-3-amine
CID 115028136
4-bromo-2-cyclohexylaniline
CID 117104255
2-cyclohexyl-4-fluoroaniline
CID 15335253

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(oxan-4-yl)phenol?
The IUPAC name of 4-amino-3-(oxan-4-yl)phenol (CID 117104375) is 4-amino-3-(oxan-4-yl)phenol.
What is the SMILES notation for 4-amino-3-(oxan-4-yl)phenol?
The canonical SMILES for 4-amino-3-(oxan-4-yl)phenol is Nc1ccc(O)cc1C1CCOCC1.
What is the InChIKey of 4-amino-3-(oxan-4-yl)phenol?
The InChIKey is AKMCBRWKHXMFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-11-2-1-9(13)7-10(11)8-3-5-14-6-4-8/h1-2,7-8,13H,3-6,12H2.
What are the key properties of 4-amino-3-(oxan-4-yl)phenol?
4-amino-3-(oxan-4-yl)phenol has a molecular weight of 193.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(oxan-4-yl)phenol is sourced from PubChem (CID 117104375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).