bis(4-amino-3,5-dihydroxyphenyl)methanone

C13H12N2O5 — CID 151612756

IUPACbis(4-amino-3,5-dihydroxyphenyl)methanone
SMILESNc1c(O)cc(C(=O)c2cc(O)c(N)c(O)c2)cc1O
InChIInChI=1S/C13H12N2O5/c14-11-7(16)1-5(2-8(11)17)13(20)6-3-9(18)12(15)10(19)4-6/h1-4,16-19H,14-15H2
InChIKeyQMVWWAFRRUVCIQ-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.90
Rot. Bonds2

About bis(4-amino-3,5-dihydroxyphenyl)methanone

bis(4-amino-3,5-dihydroxyphenyl)methanone (PubChem CID 151612756) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is bis(4-amino-3,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Namebis(4-amino-3,5-dihydroxyphenyl)methanone
PubChem CID151612756
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Namebis(4-amino-3,5-dihydroxyphenyl)methanone
SMILESNc1c(O)cc(C(=O)c2cc(O)c(N)c(O)c2)cc1O
InChIInChI=1S/C13H12N2O5/c14-11-7(16)1-5(2-8(11)17)13(20)6-3-9(18)12(15)10(19)4-6/h1-4,16-19H,14-15H2
InChIKeyQMVWWAFRRUVCIQ-UHFFFAOYSA-N
XLogP0.90
TPSA150.03 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.25
LogP ≤ 50.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(4-amino-3,5-dihydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3,5-dihydroxybenzoic acid
CID 51346171
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
2-[(4-amino-3,5-dihydroxybenzoyl)amino]acetic acid
CID 140974704
2,5-diaminobenzene-1,3-diol;dihydrochloride
CID 19920045
(2,3,4,5,6-pentahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 146549793
2-amino-5-(4-amino-3,5-dihydroxyphenyl)sulfonylbenzene-1,3-diol
CID 22184164
(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 116609737
(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 21446297
2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile
CID 56647959
[6-(3,4,5-trihydroxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-amino-3,5-dihydroxybenzoate
CID 163515681
silver 3,4,5-trihydroxythiobenzate
CID 158274527
europium(2+);bis(3,4,5-trihydroxythiobenzate)
CID 136597984

Frequently Asked Questions

What is the IUPAC name of bis(4-amino-3,5-dihydroxyphenyl)methanone?
The IUPAC name of bis(4-amino-3,5-dihydroxyphenyl)methanone (CID 151612756) is bis(4-amino-3,5-dihydroxyphenyl)methanone.
What is the SMILES notation for bis(4-amino-3,5-dihydroxyphenyl)methanone?
The canonical SMILES for bis(4-amino-3,5-dihydroxyphenyl)methanone is Nc1c(O)cc(C(=O)c2cc(O)c(N)c(O)c2)cc1O.
What is the InChIKey of bis(4-amino-3,5-dihydroxyphenyl)methanone?
The InChIKey is QMVWWAFRRUVCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c14-11-7(16)1-5(2-8(11)17)13(20)6-3-9(18)12(15)10(19)4-6/h1-4,16-19H,14-15H2.
What are the key properties of bis(4-amino-3,5-dihydroxyphenyl)methanone?
bis(4-amino-3,5-dihydroxyphenyl)methanone has a molecular weight of 276.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-amino-3,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 151612756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).