[2-(3-quinolin-8-yloxypropoxy)phenyl]methanol

C19H19NO3 — CID 2996341

IUPAC[2-(3-quinolin-8-yloxypropoxy)phenyl]methanol
SMILESOCc1ccccc1OCCCOc1cccc2cccnc12
InChIInChI=1S/C19H19NO3/c21-14-16-6-1-2-9-17(16)22-12-5-13-23-18-10-3-7-15-8-4-11-20-19(15)18/h1-4,6-11,21H,5,12-14H2
InChIKeyQNHUDMNKWJLMFP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.58
Rot. Bonds7

About [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol

[2-(3-quinolin-8-yloxypropoxy)phenyl]methanol (PubChem CID 2996341) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-quinolin-8-yloxypropoxy)phenyl]methanol
PubChem CID2996341
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[2-(3-quinolin-8-yloxypropoxy)phenyl]methanol
SMILESOCc1ccccc1OCCCOc1cccc2cccnc12
InChIInChI=1S/C19H19NO3/c21-14-16-6-1-2-9-17(16)22-12-5-13-23-18-10-3-7-15-8-4-11-20-19(15)18/h1-4,6-11,21H,5,12-14H2
InChIKeyQNHUDMNKWJLMFP-UHFFFAOYSA-N
XLogP3.58
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol?
The IUPAC name of [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol (CID 2996341) is [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol.
What is the SMILES notation for [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol?
The canonical SMILES for [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol is OCc1ccccc1OCCCOc1cccc2cccnc12.
What is the InChIKey of [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol?
The InChIKey is QNHUDMNKWJLMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-14-16-6-1-2-9-17(16)22-12-5-13-23-18-10-3-7-15-8-4-11-20-19(15)18/h1-4,6-11,21H,5,12-14H2.
What are the key properties of [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol?
[2-(3-quinolin-8-yloxypropoxy)phenyl]methanol has a molecular weight of 309.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-quinolin-8-yloxypropoxy)phenyl]methanol is sourced from PubChem (CID 2996341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).