bis(3-amino-4-hydroxyphenyl)methanone

C13H12N2O3 — CID 586092

IUPACbis(3-amino-4-hydroxyphenyl)methanone
SMILESNc1cc(C(=O)c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C13H12N2O3/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,16-17H,14-15H2
InChIKeyAEWGGPYHSLODJJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.49
Rot. Bonds2

About bis(3-amino-4-hydroxyphenyl)methanone

bis(3-amino-4-hydroxyphenyl)methanone (PubChem CID 586092) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is bis(3-amino-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Namebis(3-amino-4-hydroxyphenyl)methanone
PubChem CID586092
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namebis(3-amino-4-hydroxyphenyl)methanone
SMILESNc1cc(C(=O)c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C13H12N2O3/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,16-17H,14-15H2
InChIKeyAEWGGPYHSLODJJ-UHFFFAOYSA-N
XLogP1.49
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-amino-4-hydroxyphenyl)methanone?
The IUPAC name of bis(3-amino-4-hydroxyphenyl)methanone (CID 586092) is bis(3-amino-4-hydroxyphenyl)methanone.
What is the SMILES notation for bis(3-amino-4-hydroxyphenyl)methanone?
The canonical SMILES for bis(3-amino-4-hydroxyphenyl)methanone is Nc1cc(C(=O)c2ccc(O)c(N)c2)ccc1O.
What is the InChIKey of bis(3-amino-4-hydroxyphenyl)methanone?
The InChIKey is AEWGGPYHSLODJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,16-17H,14-15H2.
What are the key properties of bis(3-amino-4-hydroxyphenyl)methanone?
bis(3-amino-4-hydroxyphenyl)methanone has a molecular weight of 244.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-amino-4-hydroxyphenyl)methanone is sourced from PubChem (CID 586092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).