2-amino-9H-xanthen-1-ol

C13H11NO2 — CID 67235628

IUPAC2-amino-9H-xanthen-1-ol
SMILESNc1ccc2c(c1O)Cc1ccccc1O2
InChIInChI=1S/C13H11NO2/c14-10-5-6-12-9(13(10)15)7-8-3-1-2-4-11(8)16-12/h1-6,15H,7,14H2
InChIKeyFDRKKNOGXLDCEU-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.67
Rot. Bonds

About 2-amino-9H-xanthen-1-ol

2-amino-9H-xanthen-1-ol (PubChem CID 67235628) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-amino-9H-xanthen-1-ol.

Molecular Properties

Compound Name2-amino-9H-xanthen-1-ol
PubChem CID67235628
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-amino-9H-xanthen-1-ol
SMILESNc1ccc2c(c1O)Cc1ccccc1O2
InChIInChI=1S/C13H11NO2/c14-10-5-6-12-9(13(10)15)7-8-3-1-2-4-11(8)16-12/h1-6,15H,7,14H2
InChIKeyFDRKKNOGXLDCEU-UHFFFAOYSA-N
XLogP2.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9H-xanthen-1-ol?
The IUPAC name of 2-amino-9H-xanthen-1-ol (CID 67235628) is 2-amino-9H-xanthen-1-ol.
What is the SMILES notation for 2-amino-9H-xanthen-1-ol?
The canonical SMILES for 2-amino-9H-xanthen-1-ol is Nc1ccc2c(c1O)Cc1ccccc1O2.
What is the InChIKey of 2-amino-9H-xanthen-1-ol?
The InChIKey is FDRKKNOGXLDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c14-10-5-6-12-9(13(10)15)7-8-3-1-2-4-11(8)16-12/h1-6,15H,7,14H2.
What are the key properties of 2-amino-9H-xanthen-1-ol?
2-amino-9H-xanthen-1-ol has a molecular weight of 213.24 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9H-xanthen-1-ol is sourced from PubChem (CID 67235628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).