(3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone

C13H12N2O3 — CID 23152249

IUPAC(3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone
SMILESNc1cc(N)cc(C(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C13H12N2O3/c14-8-3-7(4-9(15)5-8)13(18)11-2-1-10(16)6-12(11)17/h1-6,16-17H,14-15H2
InChIKeyVLVANZOEYYZPRC-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.49
Rot. Bonds2

About (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone

(3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone (PubChem CID 23152249) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone
PubChem CID23152249
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone
SMILESNc1cc(N)cc(C(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C13H12N2O3/c14-8-3-7(4-9(15)5-8)13(18)11-2-1-10(16)6-12(11)17/h1-6,16-17H,14-15H2
InChIKeyVLVANZOEYYZPRC-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'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone (CID 23152249) is (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone is Nc1cc(N)cc(C(=O)c2ccc(O)cc2O)c1.
What is the InChIKey of (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone?
The InChIKey is VLVANZOEYYZPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-8-3-7(4-9(15)5-8)13(18)11-2-1-10(16)6-12(11)17/h1-6,16-17H,14-15H2.
What are the key properties of (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone?
(3,5-diaminophenyl)-(2,4-dihydroxyphenyl)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 (3,5-diaminophenyl)-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 23152249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).