4-(N-hexyl-4-hydroxyanilino)phenol

C18H23NO2 — CID 44580266

IUPAC4-(N-hexyl-4-hydroxyanilino)phenol
SMILESCCCCCCN(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-2-3-4-5-14-19(15-6-10-17(20)11-7-15)16-8-12-18(21)13-9-16/h6-13,20-21H,2-5,14H2,1H3
InChIKeyYBOYHPKXQAJLGN-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.82
Rot. Bonds7

About 4-(N-hexyl-4-hydroxyanilino)phenol

4-(N-hexyl-4-hydroxyanilino)phenol (PubChem CID 44580266) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(N-hexyl-4-hydroxyanilino)phenol.

Molecular Properties

Compound Name4-(N-hexyl-4-hydroxyanilino)phenol
PubChem CID44580266
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-(N-hexyl-4-hydroxyanilino)phenol
SMILESCCCCCCN(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-2-3-4-5-14-19(15-6-10-17(20)11-7-15)16-8-12-18(21)13-9-16/h6-13,20-21H,2-5,14H2,1H3
InChIKeyYBOYHPKXQAJLGN-UHFFFAOYSA-N
XLogP4.82
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(N-hexyl-4-hydroxyanilino)phenol?
The IUPAC name of 4-(N-hexyl-4-hydroxyanilino)phenol (CID 44580266) is 4-(N-hexyl-4-hydroxyanilino)phenol.
What is the SMILES notation for 4-(N-hexyl-4-hydroxyanilino)phenol?
The canonical SMILES for 4-(N-hexyl-4-hydroxyanilino)phenol is CCCCCCN(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-(N-hexyl-4-hydroxyanilino)phenol?
The InChIKey is YBOYHPKXQAJLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-3-4-5-14-19(15-6-10-17(20)11-7-15)16-8-12-18(21)13-9-16/h6-13,20-21H,2-5,14H2,1H3.
What are the key properties of 4-(N-hexyl-4-hydroxyanilino)phenol?
4-(N-hexyl-4-hydroxyanilino)phenol has a molecular weight of 285.39 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-hexyl-4-hydroxyanilino)phenol is sourced from PubChem (CID 44580266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).