1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol

C16H20FNO2 — CID 166637403

IUPAC1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol
SMILESCCCCOCC(C)(O)c1ccnc2ccc(F)cc12
InChIInChI=1S/C16H20FNO2/c1-3-4-9-20-11-16(2,19)14-7-8-18-15-6-5-12(17)10-13(14)15/h5-8,10,19H,3-4,9,11H2,1-2H3
InChIKeyFFHAZPJMXOWKDX-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.40
Rot. Bonds6

About 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol

1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol (PubChem CID 166637403) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol
PubChem CID166637403
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol
SMILESCCCCOCC(C)(O)c1ccnc2ccc(F)cc12
InChIInChI=1S/C16H20FNO2/c1-3-4-9-20-11-16(2,19)14-7-8-18-15-6-5-12(17)10-13(14)15/h5-8,10,19H,3-4,9,11H2,1-2H3
InChIKeyFFHAZPJMXOWKDX-UHFFFAOYSA-N
XLogP3.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxymethylquinoline
CID 1514385
4-(Hydroxymethyl)quinoline
CID 80479
4-Hydroxy-4-quinolin-3-yl-cyclohexa-2,5-dienone
CID 482710
(Quinolin-3-yl)methanol
CID 12662983
3-Quinolinemethanol, alpha-methyl-
CID 12415752
Quinolin-8-ylmethanol
CID 594412
(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one
CID 162672304
(Quinolin-5-yl)methanol
CID 823080
(8-Fluoroquinolin-3-yl)methanol
CID 15513770
1-Methyl-4-(3-phenyloxiran-2-yl)quinolin-1-ium
CID 45489160
N'-(4-fluorophenyl)-3-hydroxy-3-quinolin-4-ylpropanimidamide
CID 168299259
2,8-Bis(trifluoromethyl)-alpha-ethoxymethyl-4-quinolinemethanol
CID 18511418

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol?
The IUPAC name of 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol (CID 166637403) is 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol.
What is the SMILES notation for 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol?
The canonical SMILES for 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol is CCCCOCC(C)(O)c1ccnc2ccc(F)cc12.
What is the InChIKey of 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol?
The InChIKey is FFHAZPJMXOWKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-3-4-9-20-11-16(2,19)14-7-8-18-15-6-5-12(17)10-13(14)15/h5-8,10,19H,3-4,9,11H2,1-2H3.
What are the key properties of 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol?
1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol has a molecular weight of 277.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 166637403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).