4-anilinobenzene-1,3-diol

C12H11NO2 — CID 14121598

IUPAC4-anilinobenzene-1,3-diol
SMILESOc1ccc(Nc2ccccc2)c(O)c1
InChIInChI=1S/C12H11NO2/c14-10-6-7-11(12(15)8-10)13-9-4-2-1-3-5-9/h1-8,13-15H
InChIKeyWIIVQKHIBRVVRV-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.84
Rot. Bonds2

About 4-anilinobenzene-1,3-diol

4-anilinobenzene-1,3-diol (PubChem CID 14121598) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-anilinobenzene-1,3-diol.

Molecular Properties

Compound Name4-anilinobenzene-1,3-diol
PubChem CID14121598
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-anilinobenzene-1,3-diol
SMILESOc1ccc(Nc2ccccc2)c(O)c1
InChIInChI=1S/C12H11NO2/c14-10-6-7-11(12(15)8-10)13-9-4-2-1-3-5-9/h1-8,13-15H
InChIKeyWIIVQKHIBRVVRV-UHFFFAOYSA-N
XLogP2.84
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-anilinobenzene-1,3-diol?
The IUPAC name of 4-anilinobenzene-1,3-diol (CID 14121598) is 4-anilinobenzene-1,3-diol.
What is the SMILES notation for 4-anilinobenzene-1,3-diol?
The canonical SMILES for 4-anilinobenzene-1,3-diol is Oc1ccc(Nc2ccccc2)c(O)c1.
What is the InChIKey of 4-anilinobenzene-1,3-diol?
The InChIKey is WIIVQKHIBRVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-10-6-7-11(12(15)8-10)13-9-4-2-1-3-5-9/h1-8,13-15H.
What are the key properties of 4-anilinobenzene-1,3-diol?
4-anilinobenzene-1,3-diol has a molecular weight of 201.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinobenzene-1,3-diol is sourced from PubChem (CID 14121598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).