(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol

C18H17NO3 — CID 59919961

IUPAC(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OC(c2ccc3cc4ccccc4nc3c2)CC1O
InChIInChI=1S/C18H17NO3/c20-10-18-16(21)9-17(22-18)13-6-5-12-7-11-3-1-2-4-14(11)19-15(12)8-13/h1-8,16-18,20-21H,9-10H2/t16?,17?,18-/m1/s1
InChIKeyHEHKNYDCGOMXIL-DAWZGUTISA-N
MW295.34 g/mol
LogP2.57
Rot. Bonds2

About (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol

(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 59919961) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
PubChem CID59919961
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OC(c2ccc3cc4ccccc4nc3c2)CC1O
InChIInChI=1S/C18H17NO3/c20-10-18-16(21)9-17(22-18)13-6-5-12-7-11-3-1-2-4-14(11)19-15(12)8-13/h1-8,16-18,20-21H,9-10H2/t16?,17?,18-/m1/s1
InChIKeyHEHKNYDCGOMXIL-DAWZGUTISA-N
XLogP2.57
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol (CID 59919961) is (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1OC(c2ccc3cc4ccccc4nc3c2)CC1O.
What is the InChIKey of (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is HEHKNYDCGOMXIL-DAWZGUTISA-N. The full InChI is InChI=1S/C18H17NO3/c20-10-18-16(21)9-17(22-18)13-6-5-12-7-11-3-1-2-4-14(11)19-15(12)8-13/h1-8,16-18,20-21H,9-10H2/t16?,17?,18-/m1/s1.
What are the key properties of (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol?
(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 295.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 59919961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).