4-(4-anilinophenyl)benzene-1,2,3,5-tetrol

C18H15NO4 — CID 144777394

IUPAC4-(4-anilinophenyl)benzene-1,2,3,5-tetrol
SMILESOc1cc(O)c(-c2ccc(Nc3ccccc3)cc2)c(O)c1O
InChIInChI=1S/C18H15NO4/c20-14-10-15(21)17(22)18(23)16(14)11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10,19-23H
InChIKeyJOPBIIIDURNVKX-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.92
Rot. Bonds3

About 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol

4-(4-anilinophenyl)benzene-1,2,3,5-tetrol (PubChem CID 144777394) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol.

Molecular Properties

Compound Name4-(4-anilinophenyl)benzene-1,2,3,5-tetrol
PubChem CID144777394
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name4-(4-anilinophenyl)benzene-1,2,3,5-tetrol
SMILESOc1cc(O)c(-c2ccc(Nc3ccccc3)cc2)c(O)c1O
InChIInChI=1S/C18H15NO4/c20-14-10-15(21)17(22)18(23)16(14)11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10,19-23H
InChIKeyJOPBIIIDURNVKX-UHFFFAOYSA-N
XLogP3.92
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'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 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol?
The IUPAC name of 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol (CID 144777394) is 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol.
What is the SMILES notation for 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol?
The canonical SMILES for 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol is Oc1cc(O)c(-c2ccc(Nc3ccccc3)cc2)c(O)c1O.
What is the InChIKey of 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol?
The InChIKey is JOPBIIIDURNVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-14-10-15(21)17(22)18(23)16(14)11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10,19-23H.
What are the key properties of 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol?
4-(4-anilinophenyl)benzene-1,2,3,5-tetrol has a molecular weight of 309.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinophenyl)benzene-1,2,3,5-tetrol is sourced from PubChem (CID 144777394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).