(3-amino-2,4-dihydroxyphenyl)-phenylmethanone

C13H11NO3 — CID 11075186

IUPAC(3-amino-2,4-dihydroxyphenyl)-phenylmethanone
SMILESNc1c(O)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C13H11NO3/c14-11-10(15)7-6-9(13(11)17)12(16)8-4-2-1-3-5-8/h1-7,15,17H,14H2
InChIKeyOFUDNGNUCIBARK-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.91
Rot. Bonds2

About (3-amino-2,4-dihydroxyphenyl)-phenylmethanone

(3-amino-2,4-dihydroxyphenyl)-phenylmethanone (PubChem CID 11075186) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is (3-amino-2,4-dihydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-2,4-dihydroxyphenyl)-phenylmethanone
PubChem CID11075186
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name(3-amino-2,4-dihydroxyphenyl)-phenylmethanone
SMILESNc1c(O)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C13H11NO3/c14-11-10(15)7-6-9(13(11)17)12(16)8-4-2-1-3-5-8/h1-7,15,17H,14H2
InChIKeyOFUDNGNUCIBARK-UHFFFAOYSA-N
XLogP1.91
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-2,4-dihydroxyphenyl)-phenylmethanone 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

1-Amino-2,4-dihydroxyanthraquinone
CID 6682
3-Amino-2-hydroxyacetophenone
CID 459294
6-Amino-5,7-dihydroxyflavone
CID 11242643
1-(3-Amino-2,4-dihydroxyphenyl)-1-ethanone
CID 16081108
[2,4-Dihydroxy-3-(propan-2-ylamino)phenyl]-phenylmethanone
CID 9970405
[2,4-Dihydroxy-3-(1-hydroxypropan-2-ylamino)phenyl]-phenylmethanone
CID 15856190
[3-(1,3-Dihydroxypropan-2-ylamino)-2,4-dihydroxyphenyl]-phenylmethanone
CID 15856191
(E)-3-(3-aminophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 6474694
[2,4-Dihydroxy-3-(propylamino)phenyl]-phenylmethanone
CID 10084552
[3-(Benzylamino)-2,4-dihydroxyphenyl]-phenylmethanone
CID 10495864
[2,4-Dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone
CID 11780692
[2,4-Dihydroxy-3-(3-methylbutylamino)phenyl]-phenylmethanone
CID 15424264

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4-dihydroxyphenyl)-phenylmethanone?
The IUPAC name of (3-amino-2,4-dihydroxyphenyl)-phenylmethanone (CID 11075186) is (3-amino-2,4-dihydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (3-amino-2,4-dihydroxyphenyl)-phenylmethanone?
The canonical SMILES for (3-amino-2,4-dihydroxyphenyl)-phenylmethanone is Nc1c(O)ccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (3-amino-2,4-dihydroxyphenyl)-phenylmethanone?
The InChIKey is OFUDNGNUCIBARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c14-11-10(15)7-6-9(13(11)17)12(16)8-4-2-1-3-5-8/h1-7,15,17H,14H2.
What are the key properties of (3-amino-2,4-dihydroxyphenyl)-phenylmethanone?
(3-amino-2,4-dihydroxyphenyl)-phenylmethanone has a molecular weight of 229.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,4-dihydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 11075186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).