4-amino-2-cyclohexylphenol

C12H17NO — CID 4606632

IUPAC4-amino-2-cyclohexylphenol
SMILESNc1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C12H17NO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5,13H2
InChIKeyQDUSBPJVNWUNJH-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.02
Rot. Bonds1

About 4-amino-2-cyclohexylphenol

4-amino-2-cyclohexylphenol (PubChem CID 4606632) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-amino-2-cyclohexylphenol.

Molecular Properties

Compound Name4-amino-2-cyclohexylphenol
PubChem CID4606632
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-amino-2-cyclohexylphenol
SMILESNc1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C12H17NO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5,13H2
InChIKeyQDUSBPJVNWUNJH-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2-cyclohexylphenol?
The IUPAC name of 4-amino-2-cyclohexylphenol (CID 4606632) is 4-amino-2-cyclohexylphenol.
What is the SMILES notation for 4-amino-2-cyclohexylphenol?
The canonical SMILES for 4-amino-2-cyclohexylphenol is Nc1ccc(O)c(C2CCCCC2)c1.
What is the InChIKey of 4-amino-2-cyclohexylphenol?
The InChIKey is QDUSBPJVNWUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5,13H2.
What are the key properties of 4-amino-2-cyclohexylphenol?
4-amino-2-cyclohexylphenol has a molecular weight of 191.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexylphenol is sourced from PubChem (CID 4606632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).