5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol

C12H11NO3 — CID 22023326

IUPAC5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol
SMILESNc1ccc(-c2cc(O)cc(O)c2)c(O)c1
InChIInChI=1S/C12H11NO3/c13-8-1-2-11(12(16)5-8)7-3-9(14)6-10(15)4-7/h1-6,14-16H,13H2
InChIKeyHBHWVUKUMVLBQZ-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.05
Rot. Bonds1

About 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol

5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol (PubChem CID 22023326) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol
PubChem CID22023326
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol
SMILESNc1ccc(-c2cc(O)cc(O)c2)c(O)c1
InChIInChI=1S/C12H11NO3/c13-8-1-2-11(12(16)5-8)7-3-9(14)6-10(15)4-7/h1-6,14-16H,13H2
InChIKeyHBHWVUKUMVLBQZ-UHFFFAOYSA-N
XLogP2.05
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol?
The IUPAC name of 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol (CID 22023326) is 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol?
The canonical SMILES for 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol is Nc1ccc(-c2cc(O)cc(O)c2)c(O)c1.
What is the InChIKey of 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol?
The InChIKey is HBHWVUKUMVLBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c13-8-1-2-11(12(16)5-8)7-3-9(14)6-10(15)4-7/h1-6,14-16H,13H2.
What are the key properties of 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol?
5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol has a molecular weight of 217.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol is sourced from PubChem (CID 22023326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).