2-[4-(4-hydroxyanilino)anilino]phenol

C18H16N2O2 — CID 139796007

IUPAC2-[4-(4-hydroxyanilino)anilino]phenol
SMILESOc1ccc(Nc2ccc(Nc3ccccc3O)cc2)cc1
InChIInChI=1S/C18H16N2O2/c21-16-11-9-14(10-12-16)19-13-5-7-15(8-6-13)20-17-3-1-2-4-18(17)22/h1-12,19-22H
InChIKeyXEZKBBVLXSRHGH-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.59
Rot. Bonds4

About 2-[4-(4-hydroxyanilino)anilino]phenol

2-[4-(4-hydroxyanilino)anilino]phenol (PubChem CID 139796007) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-(4-hydroxyanilino)anilino]phenol.

Molecular Properties

Compound Name2-[4-(4-hydroxyanilino)anilino]phenol
PubChem CID139796007
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[4-(4-hydroxyanilino)anilino]phenol
SMILESOc1ccc(Nc2ccc(Nc3ccccc3O)cc2)cc1
InChIInChI=1S/C18H16N2O2/c21-16-11-9-14(10-12-16)19-13-5-7-15(8-6-13)20-17-3-1-2-4-18(17)22/h1-12,19-22H
InChIKeyXEZKBBVLXSRHGH-UHFFFAOYSA-N
XLogP4.59
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyanilino)anilino]phenol?
The IUPAC name of 2-[4-(4-hydroxyanilino)anilino]phenol (CID 139796007) is 2-[4-(4-hydroxyanilino)anilino]phenol.
What is the SMILES notation for 2-[4-(4-hydroxyanilino)anilino]phenol?
The canonical SMILES for 2-[4-(4-hydroxyanilino)anilino]phenol is Oc1ccc(Nc2ccc(Nc3ccccc3O)cc2)cc1.
What is the InChIKey of 2-[4-(4-hydroxyanilino)anilino]phenol?
The InChIKey is XEZKBBVLXSRHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-16-11-9-14(10-12-16)19-13-5-7-15(8-6-13)20-17-3-1-2-4-18(17)22/h1-12,19-22H.
What are the key properties of 2-[4-(4-hydroxyanilino)anilino]phenol?
2-[4-(4-hydroxyanilino)anilino]phenol has a molecular weight of 292.34 g/mol, XLogP of 4.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyanilino)anilino]phenol is sourced from PubChem (CID 139796007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).