(1R,2S)-1,2-dihydroacridine-1,2-diol

C13H11NO2 — CID 11127605

IUPAC(1R,2S)-1,2-dihydroacridine-1,2-diol
SMILESO[C@@H]1c2cc3ccccc3nc2C=C[C@@H]1O
InChIInChI=1S/C13H11NO2/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11/h1-7,12-13,15-16H/t12-,13+/m0/s1
InChIKeyWESMSPZTGSSODE-QWHCGFSZSA-N
MW213.24 g/mol
LogP1.66
Rot. Bonds

About (1R,2S)-1,2-dihydroacridine-1,2-diol

(1R,2S)-1,2-dihydroacridine-1,2-diol (PubChem CID 11127605) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (1R,2S)-1,2-dihydroacridine-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1,2-dihydroacridine-1,2-diol
PubChem CID11127605
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(1R,2S)-1,2-dihydroacridine-1,2-diol
SMILESO[C@@H]1c2cc3ccccc3nc2C=C[C@@H]1O
InChIInChI=1S/C13H11NO2/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11/h1-7,12-13,15-16H/t12-,13+/m0/s1
InChIKeyWESMSPZTGSSODE-QWHCGFSZSA-N
XLogP1.66
TPSA53.35 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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-dihydroacridine-1,2-diol?
The IUPAC name of (1R,2S)-1,2-dihydroacridine-1,2-diol (CID 11127605) is (1R,2S)-1,2-dihydroacridine-1,2-diol.
What is the SMILES notation for (1R,2S)-1,2-dihydroacridine-1,2-diol?
The canonical SMILES for (1R,2S)-1,2-dihydroacridine-1,2-diol is O[C@@H]1c2cc3ccccc3nc2C=C[C@@H]1O.
What is the InChIKey of (1R,2S)-1,2-dihydroacridine-1,2-diol?
The InChIKey is WESMSPZTGSSODE-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H11NO2/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11/h1-7,12-13,15-16H/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-1,2-dihydroacridine-1,2-diol?
(1R,2S)-1,2-dihydroacridine-1,2-diol has a molecular weight of 213.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1,2-dihydroacridine-1,2-diol is sourced from PubChem (CID 11127605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).