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

C18H16N2O2 — CID 67211974

IUPAC2-[4-(2-hydroxyanilino)anilino]phenol
SMILESOc1ccccc1Nc1ccc(Nc2ccccc2O)cc1
InChIInChI=1S/C18H16N2O2/c21-17-7-3-1-5-15(17)19-13-9-11-14(12-10-13)20-16-6-2-4-8-18(16)22/h1-12,19-22H
InChIKeyOYXQPHAGZJCDQP-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.59
Rot. Bonds4

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

2-[4-(2-hydroxyanilino)anilino]phenol (PubChem CID 67211974) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyanilino)anilino]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxyanilino)anilino]phenol
PubChem CID67211974
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[4-(2-hydroxyanilino)anilino]phenol
SMILESOc1ccccc1Nc1ccc(Nc2ccccc2O)cc1
InChIInChI=1S/C18H16N2O2/c21-17-7-3-1-5-15(17)19-13-9-11-14(12-10-13)20-16-6-2-4-8-18(16)22/h1-12,19-22H
InChIKeyOYXQPHAGZJCDQP-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'}

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Related Compounds

2-[4-(4-hydroxyanilino)anilino]phenol
CID 139796007
2-(4-fluoroanilino)phenol
CID 82537401
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
5-(2-hydroxyanilino)benzene-1,2,3-triol
CID 171920071
2-(4-nitroanilino)phenol
CID 14224817
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
2-(4-hydroxyanilino)benzene-1,4-diol
CID 171920009
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
2-(2,5-difluoroanilino)phenol
CID 82537391
2-anilino-6-hydroxybenzoic acid
CID 154369183
2-(2-hydroxyanilino)-6-nitrosophenol
CID 139980518
2-(4-hydroxyanilino)benzoic acid
CID 11593806

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyanilino)anilino]phenol?
The IUPAC name of 2-[4-(2-hydroxyanilino)anilino]phenol (CID 67211974) is 2-[4-(2-hydroxyanilino)anilino]phenol.
What is the SMILES notation for 2-[4-(2-hydroxyanilino)anilino]phenol?
The canonical SMILES for 2-[4-(2-hydroxyanilino)anilino]phenol is Oc1ccccc1Nc1ccc(Nc2ccccc2O)cc1.
What is the InChIKey of 2-[4-(2-hydroxyanilino)anilino]phenol?
The InChIKey is OYXQPHAGZJCDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17-7-3-1-5-15(17)19-13-9-11-14(12-10-13)20-16-6-2-4-8-18(16)22/h1-12,19-22H.
What are the key properties of 2-[4-(2-hydroxyanilino)anilino]phenol?
2-[4-(2-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-(2-hydroxyanilino)anilino]phenol is sourced from PubChem (CID 67211974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).