3-aminoanthracen-2-ol

C14H11NO — CID 22413182

IUPAC3-aminoanthracen-2-ol
SMILESNc1cc2cc3ccccc3cc2cc1O
InChIInChI=1S/C14H11NO/c15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16/h1-8,16H,15H2
InChIKeyXKAMCIJWFNXODL-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.28
Rot. Bonds

About 3-aminoanthracen-2-ol

3-aminoanthracen-2-ol (PubChem CID 22413182) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-aminoanthracen-2-ol.

Molecular Properties

Compound Name3-aminoanthracen-2-ol
PubChem CID22413182
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-aminoanthracen-2-ol
SMILESNc1cc2cc3ccccc3cc2cc1O
InChIInChI=1S/C14H11NO/c15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16/h1-8,16H,15H2
InChIKeyXKAMCIJWFNXODL-UHFFFAOYSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminoanthracen-2-ol?
The IUPAC name of 3-aminoanthracen-2-ol (CID 22413182) is 3-aminoanthracen-2-ol.
What is the SMILES notation for 3-aminoanthracen-2-ol?
The canonical SMILES for 3-aminoanthracen-2-ol is Nc1cc2cc3ccccc3cc2cc1O.
What is the InChIKey of 3-aminoanthracen-2-ol?
The InChIKey is XKAMCIJWFNXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16/h1-8,16H,15H2.
What are the key properties of 3-aminoanthracen-2-ol?
3-aminoanthracen-2-ol has a molecular weight of 209.25 g/mol, XLogP of 3.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoanthracen-2-ol is sourced from PubChem (CID 22413182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).