4-amino-2,6-dicyclohexylphenol

C18H27NO — CID 18959879

IUPAC4-amino-2,6-dicyclohexylphenol
SMILESNc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C18H27NO/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h11-14,20H,1-10,19H2
InChIKeyRJNKBVUMDYIDBS-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.07
Rot. Bonds2

About 4-amino-2,6-dicyclohexylphenol

4-amino-2,6-dicyclohexylphenol (PubChem CID 18959879) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-amino-2,6-dicyclohexylphenol.

Molecular Properties

Compound Name4-amino-2,6-dicyclohexylphenol
PubChem CID18959879
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-amino-2,6-dicyclohexylphenol
SMILESNc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C18H27NO/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h11-14,20H,1-10,19H2
InChIKeyRJNKBVUMDYIDBS-UHFFFAOYSA-N
XLogP5.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.07
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-2,6-dicyclohexylphenol?
The IUPAC name of 4-amino-2,6-dicyclohexylphenol (CID 18959879) is 4-amino-2,6-dicyclohexylphenol.
What is the SMILES notation for 4-amino-2,6-dicyclohexylphenol?
The canonical SMILES for 4-amino-2,6-dicyclohexylphenol is Nc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1.
What is the InChIKey of 4-amino-2,6-dicyclohexylphenol?
The InChIKey is RJNKBVUMDYIDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h11-14,20H,1-10,19H2.
What are the key properties of 4-amino-2,6-dicyclohexylphenol?
4-amino-2,6-dicyclohexylphenol has a molecular weight of 273.42 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dicyclohexylphenol is sourced from PubChem (CID 18959879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).