(5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol

C16H25FO5 — CID 59904766

IUPAC(5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol
SMILESCOCCOCO[C@H](CCCCO)COc1ccc(F)cc1
InChIInChI=1S/C16H25FO5/c1-19-10-11-20-13-22-16(4-2-3-9-18)12-21-15-7-5-14(17)6-8-15/h5-8,16,18H,2-4,9-13H2,1H3/t16-/m1/s1
InChIKeyAUITVEIOSLDNDF-MRXNPFEDSA-N
MW316.37 g/mol
LogP2.37
Rot. Bonds13

About (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol

(5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol (PubChem CID 59904766) has the molecular formula C16H25FO5 and a molecular weight of 316.37 g/mol. Its IUPAC name is (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol
PubChem CID59904766
Molecular FormulaC16H25FO5
Molecular Weight316.37 g/mol
Exact Mass316.17
IUPAC Name(5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol
SMILESCOCCOCO[C@H](CCCCO)COc1ccc(F)cc1
InChIInChI=1S/C16H25FO5/c1-19-10-11-20-13-22-16(4-2-3-9-18)12-21-15-7-5-14(17)6-8-15/h5-8,16,18H,2-4,9-13H2,1H3/t16-/m1/s1
InChIKeyAUITVEIOSLDNDF-MRXNPFEDSA-N
XLogP2.37
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol?
The IUPAC name of (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol (CID 59904766) is (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol.
What is the SMILES notation for (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol?
The canonical SMILES for (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol is COCCOCO[C@H](CCCCO)COc1ccc(F)cc1.
What is the InChIKey of (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol?
The InChIKey is AUITVEIOSLDNDF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25FO5/c1-19-10-11-20-13-22-16(4-2-3-9-18)12-21-15-7-5-14(17)6-8-15/h5-8,16,18H,2-4,9-13H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol?
(5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol has a molecular weight of 316.37 g/mol, XLogP of 2.37, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-(4-fluorophenoxy)-5-(2-methoxyethoxymethoxy)hexan-1-ol is sourced from PubChem (CID 59904766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).