2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol

C15H23FO4 — CID 104568651

IUPAC2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
SMILESCOCCOCCOCCC(CO)c1cccc(F)c1
InChIInChI=1S/C15H23FO4/c1-18-7-8-20-10-9-19-6-5-14(12-17)13-3-2-4-15(16)11-13/h2-4,11,14,17H,5-10,12H2,1H3
InChIKeyGINSIZPJHXUOJD-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.97
Rot. Bonds11

About 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol

2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol (PubChem CID 104568651) has the molecular formula C15H23FO4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
PubChem CID104568651
Molecular FormulaC15H23FO4
Molecular Weight286.34 g/mol
Exact Mass286.16
IUPAC Name2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
SMILESCOCCOCCOCCC(CO)c1cccc(F)c1
InChIInChI=1S/C15H23FO4/c1-18-7-8-20-10-9-19-6-5-14(12-17)13-3-2-4-15(16)11-13/h2-4,11,14,17H,5-10,12H2,1H3
InChIKeyGINSIZPJHXUOJD-UHFFFAOYSA-N
XLogP1.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.97
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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Related Compounds

2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 112592372
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 79443233
2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
CID 103412616
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate
CID 175141706
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
CID 79431449
2-(3-methylphenyl)-4-propoxybutan-1-ol
CID 106459483
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457132
1-[1-bromo-4-(2,2,2-trifluoroethoxy)butan-2-yl]-3-fluorobenzene
CID 79433971
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol (CID 104568651) is 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol is COCCOCCOCCC(CO)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The InChIKey is GINSIZPJHXUOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO4/c1-18-7-8-20-10-9-19-6-5-14(12-17)13-3-2-4-15(16)11-13/h2-4,11,14,17H,5-10,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol has a molecular weight of 286.34 g/mol, XLogP of 1.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol is sourced from PubChem (CID 104568651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).