2-(hydroxymethyl)acridin-4-ol

C14H11NO2 — CID 78318520

IUPAC2-(hydroxymethyl)acridin-4-ol
SMILESOCc1cc(O)c2nc3ccccc3cc2c1
InChIInChI=1S/C14H11NO2/c16-8-9-5-11-7-10-3-1-2-4-12(10)15-14(11)13(17)6-9/h1-7,16-17H,8H2
InChIKeyKJKXFKGBQVVKAX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.59
Rot. Bonds1

About 2-(hydroxymethyl)acridin-4-ol

2-(hydroxymethyl)acridin-4-ol (PubChem CID 78318520) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)acridin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)acridin-4-ol
PubChem CID78318520
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name2-(hydroxymethyl)acridin-4-ol
SMILESOCc1cc(O)c2nc3ccccc3cc2c1
InChIInChI=1S/C14H11NO2/c16-8-9-5-11-7-10-3-1-2-4-12(10)15-14(11)13(17)6-9/h1-7,16-17H,8H2
InChIKeyKJKXFKGBQVVKAX-UHFFFAOYSA-N
XLogP2.59
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(hydroxymethyl)acridin-4-ol?
The IUPAC name of 2-(hydroxymethyl)acridin-4-ol (CID 78318520) is 2-(hydroxymethyl)acridin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)acridin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)acridin-4-ol is OCc1cc(O)c2nc3ccccc3cc2c1.
What is the InChIKey of 2-(hydroxymethyl)acridin-4-ol?
The InChIKey is KJKXFKGBQVVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-8-9-5-11-7-10-3-1-2-4-12(10)15-14(11)13(17)6-9/h1-7,16-17H,8H2.
What are the key properties of 2-(hydroxymethyl)acridin-4-ol?
2-(hydroxymethyl)acridin-4-ol has a molecular weight of 225.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)acridin-4-ol is sourced from PubChem (CID 78318520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).