2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol

C13H19FO3 — CID 79448650

IUPAC2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
SMILESCOCCOCCC(CO)c1ccccc1F
InChIInChI=1S/C13H19FO3/c1-16-8-9-17-7-6-11(10-15)12-4-2-3-5-13(12)14/h2-5,11,15H,6-10H2,1H3
InChIKeyJXHLILCTFCVRBI-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.95
Rot. Bonds8

About 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol

2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol (PubChem CID 79448650) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
PubChem CID79448650
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
SMILESCOCCOCCC(CO)c1ccccc1F
InChIInChI=1S/C13H19FO3/c1-16-8-9-17-7-6-11(10-15)12-4-2-3-5-13(12)14/h2-5,11,15H,6-10H2,1H3
InChIKeyJXHLILCTFCVRBI-UHFFFAOYSA-N
XLogP1.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.95
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

1-[1-chloro-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-2-fluorobenzene
CID 104568771
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104568651
N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412646
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
3-(2-fluorophenyl)-4-methoxybutan-1-amine
CID 115021065
4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol
CID 79448797
[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate
CID 175407135
2-(2-fluorophenyl)-6-methoxyhexan-1-amine
CID 104649507
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
CID 103401296
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
1-[1-bromo-4-(2-methylpropoxy)butan-2-yl]-2-fluorobenzene
CID 106459688

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol?
The IUPAC name of 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol (CID 79448650) is 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol?
The canonical SMILES for 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol is COCCOCCC(CO)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol?
The InChIKey is JXHLILCTFCVRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-16-8-9-17-7-6-11(10-15)12-4-2-3-5-13(12)14/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol?
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol has a molecular weight of 242.29 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol is sourced from PubChem (CID 79448650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).