2-(4-hydroxyanilino)benzene-1,4-diol

C12H11NO3 — CID 171920009

IUPAC2-(4-hydroxyanilino)benzene-1,4-diol
SMILESOc1ccc(Nc2cc(O)ccc2O)cc1
InChIInChI=1S/C12H11NO3/c14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)16/h1-7,13-16H
InChIKeyKKBKOBDSJFSWPV-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.55
Rot. Bonds2

About 2-(4-hydroxyanilino)benzene-1,4-diol

2-(4-hydroxyanilino)benzene-1,4-diol (PubChem CID 171920009) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(4-hydroxyanilino)benzene-1,4-diol.

Molecular Properties

Compound Name2-(4-hydroxyanilino)benzene-1,4-diol
PubChem CID171920009
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(4-hydroxyanilino)benzene-1,4-diol
SMILESOc1ccc(Nc2cc(O)ccc2O)cc1
InChIInChI=1S/C12H11NO3/c14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)16/h1-7,13-16H
InChIKeyKKBKOBDSJFSWPV-UHFFFAOYSA-N
XLogP2.55
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.55
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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Related Compounds

2-[4-(4-hydroxyanilino)anilino]phenol
CID 139796007
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
8-amino-7-(4-aminoanilino)-5,10-dihydrophenazin-2-ol
CID 155329471
2-(aminomethyl)-4-(4-hydroxyanilino)phenol
CID 21322803
4-(2-anilinophenyl)benzene-1,3-diol
CID 142732958
3-amino-4-(4-methylanilino)phenol
CID 91593642
4-tert-butyl-2-(4-methoxyanilino)phenol
CID 50924521
2-(2,5-dihydroxyanilino)-2-oxoacetic acid
CID 154478317
4-(4-propan-2-ylanilino)phenol
CID 21326552
5-(5-amino-2-hydroxyanilino)-2-methylphenol
CID 67898341
2-(4-fluoroanilino)phenol
CID 82537401
2,6-dichloro-4-(4-hydroxyanilino)phenol
CID 622906

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyanilino)benzene-1,4-diol?
The IUPAC name of 2-(4-hydroxyanilino)benzene-1,4-diol (CID 171920009) is 2-(4-hydroxyanilino)benzene-1,4-diol.
What is the SMILES notation for 2-(4-hydroxyanilino)benzene-1,4-diol?
The canonical SMILES for 2-(4-hydroxyanilino)benzene-1,4-diol is Oc1ccc(Nc2cc(O)ccc2O)cc1.
What is the InChIKey of 2-(4-hydroxyanilino)benzene-1,4-diol?
The InChIKey is KKBKOBDSJFSWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)16/h1-7,13-16H.
What are the key properties of 2-(4-hydroxyanilino)benzene-1,4-diol?
2-(4-hydroxyanilino)benzene-1,4-diol has a molecular weight of 217.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyanilino)benzene-1,4-diol is sourced from PubChem (CID 171920009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).