1-amino-2-phenoxyanthracene-9,10-dione

C20H13NO3 — CID 2833773

IUPAC1-amino-2-phenoxyanthracene-9,10-dione
SMILESNc1c(Oc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H13NO3/c21-18-16(24-12-6-2-1-3-7-12)11-10-15-17(18)20(23)14-9-5-4-8-13(14)19(15)22/h1-11H,21H2
InChIKeyLTBODPBDLZJCLH-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.84
Rot. Bonds2

About 1-amino-2-phenoxyanthracene-9,10-dione

1-amino-2-phenoxyanthracene-9,10-dione (PubChem CID 2833773) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-amino-2-phenoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-2-phenoxyanthracene-9,10-dione
PubChem CID2833773
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name1-amino-2-phenoxyanthracene-9,10-dione
SMILESNc1c(Oc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H13NO3/c21-18-16(24-12-6-2-1-3-7-12)11-10-15-17(18)20(23)14-9-5-4-8-13(14)19(15)22/h1-11H,21H2
InChIKeyLTBODPBDLZJCLH-UHFFFAOYSA-N
XLogP3.84
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenoxyanthracene-9,10-dione?
The IUPAC name of 1-amino-2-phenoxyanthracene-9,10-dione (CID 2833773) is 1-amino-2-phenoxyanthracene-9,10-dione.
What is the SMILES notation for 1-amino-2-phenoxyanthracene-9,10-dione?
The canonical SMILES for 1-amino-2-phenoxyanthracene-9,10-dione is Nc1c(Oc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-2-phenoxyanthracene-9,10-dione?
The InChIKey is LTBODPBDLZJCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c21-18-16(24-12-6-2-1-3-7-12)11-10-15-17(18)20(23)14-9-5-4-8-13(14)19(15)22/h1-11H,21H2.
What are the key properties of 1-amino-2-phenoxyanthracene-9,10-dione?
1-amino-2-phenoxyanthracene-9,10-dione has a molecular weight of 315.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenoxyanthracene-9,10-dione is sourced from PubChem (CID 2833773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).