4-(hydroxymethyl)quinolin-8-ol

C10H9NO2 — CID 658612

IUPAC4-(hydroxymethyl)quinolin-8-ol
SMILESOCc1ccnc2c(O)cccc12
InChIInChI=1S/C10H9NO2/c12-6-7-4-5-11-10-8(7)2-1-3-9(10)13/h1-5,12-13H,6H2
InChIKeySTAXGMKKJCRDRH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.43
Rot. Bonds1

About 4-(hydroxymethyl)quinolin-8-ol

4-(hydroxymethyl)quinolin-8-ol (PubChem CID 658612) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)quinolin-8-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)quinolin-8-ol
PubChem CID658612
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-(hydroxymethyl)quinolin-8-ol
SMILESOCc1ccnc2c(O)cccc12
InChIInChI=1S/C10H9NO2/c12-6-7-4-5-11-10-8(7)2-1-3-9(10)13/h1-5,12-13H,6H2
InChIKeySTAXGMKKJCRDRH-UHFFFAOYSA-N
XLogP1.43
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)quinolin-8-ol?
The IUPAC name of 4-(hydroxymethyl)quinolin-8-ol (CID 658612) is 4-(hydroxymethyl)quinolin-8-ol.
What is the SMILES notation for 4-(hydroxymethyl)quinolin-8-ol?
The canonical SMILES for 4-(hydroxymethyl)quinolin-8-ol is OCc1ccnc2c(O)cccc12.
What is the InChIKey of 4-(hydroxymethyl)quinolin-8-ol?
The InChIKey is STAXGMKKJCRDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-7-4-5-11-10-8(7)2-1-3-9(10)13/h1-5,12-13H,6H2.
What are the key properties of 4-(hydroxymethyl)quinolin-8-ol?
4-(hydroxymethyl)quinolin-8-ol has a molecular weight of 175.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)quinolin-8-ol is sourced from PubChem (CID 658612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).