9-amino-9H-xanthen-3-ol

C13H11NO2 — CID 10443193

IUPAC9-amino-9H-xanthen-3-ol
SMILESNC1c2ccccc2Oc2cc(O)ccc21
InChIInChI=1S/C13H11NO2/c14-13-9-3-1-2-4-11(9)16-12-7-8(15)5-6-10(12)13/h1-7,13,15H,14H2
InChIKeyKDSSPEDHBINNBQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.55
Rot. Bonds

About 9-amino-9H-xanthen-3-ol

9-amino-9H-xanthen-3-ol (PubChem CID 10443193) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 9-amino-9H-xanthen-3-ol.

Molecular Properties

Compound Name9-amino-9H-xanthen-3-ol
PubChem CID10443193
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name9-amino-9H-xanthen-3-ol
SMILESNC1c2ccccc2Oc2cc(O)ccc21
InChIInChI=1S/C13H11NO2/c14-13-9-3-1-2-4-11(9)16-12-7-8(15)5-6-10(12)13/h1-7,13,15H,14H2
InChIKeyKDSSPEDHBINNBQ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-9H-xanthen-3-ol?
The IUPAC name of 9-amino-9H-xanthen-3-ol (CID 10443193) is 9-amino-9H-xanthen-3-ol.
What is the SMILES notation for 9-amino-9H-xanthen-3-ol?
The canonical SMILES for 9-amino-9H-xanthen-3-ol is NC1c2ccccc2Oc2cc(O)ccc21.
What is the InChIKey of 9-amino-9H-xanthen-3-ol?
The InChIKey is KDSSPEDHBINNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c14-13-9-3-1-2-4-11(9)16-12-7-8(15)5-6-10(12)13/h1-7,13,15H,14H2.
What are the key properties of 9-amino-9H-xanthen-3-ol?
9-amino-9H-xanthen-3-ol has a molecular weight of 213.24 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-9H-xanthen-3-ol is sourced from PubChem (CID 10443193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).