4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol

C20H25NO2 — CID 44580268

IUPAC4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol
SMILESOc1ccc(N(CCC2CCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H25NO2/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)15-14-16-4-2-1-3-5-16/h6-13,16,22-23H,1-5,14-15H2
InChIKeyANNPLVAGFCRTIX-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.21
Rot. Bonds5

About 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol

4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol (PubChem CID 44580268) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol.

Molecular Properties

Compound Name4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol
PubChem CID44580268
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol
SMILESOc1ccc(N(CCC2CCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H25NO2/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)15-14-16-4-2-1-3-5-16/h6-13,16,22-23H,1-5,14-15H2
InChIKeyANNPLVAGFCRTIX-UHFFFAOYSA-N
XLogP5.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol?
The IUPAC name of 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol (CID 44580268) is 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol.
What is the SMILES notation for 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol?
The canonical SMILES for 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol is Oc1ccc(N(CCC2CCCCC2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol?
The InChIKey is ANNPLVAGFCRTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)15-14-16-4-2-1-3-5-16/h6-13,16,22-23H,1-5,14-15H2.
What are the key properties of 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol?
4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol has a molecular weight of 311.43 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2-cyclohexylethyl)-4-hydroxyanilino]phenol is sourced from PubChem (CID 44580268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).