1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol

C14H21FO5 — CID 106991174

IUPAC1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccc(C(C)O)cc1F
InChIInChI=1S/C14H21FO5/c1-10(16)11-3-4-14(13(15)7-11)20-9-12(17)8-19-6-5-18-2/h3-4,7,10,12,16-17H,5-6,8-9H2,1-2H3
InChIKeyPWHYTEAAXPCPDO-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.28
Rot. Bonds9

About 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol

1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106991174) has the molecular formula C14H21FO5 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106991174
Molecular FormulaC14H21FO5
Molecular Weight288.32 g/mol
Exact Mass288.14
IUPAC Name1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccc(C(C)O)cc1F
InChIInChI=1S/C14H21FO5/c1-10(16)11-3-4-14(13(15)7-11)20-9-12(17)8-19-6-5-18-2/h3-4,7,10,12,16-17H,5-6,8-9H2,1-2H3
InChIKeyPWHYTEAAXPCPDO-UHFFFAOYSA-N
XLogP1.28
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
CID 114200314
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
5-chloro-2-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzoic acid
CID 106988297
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472844
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol
CID 163912251

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106991174) is 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COc1ccc(C(C)O)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is PWHYTEAAXPCPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO5/c1-10(16)11-3-4-14(13(15)7-11)20-9-12(17)8-19-6-5-18-2/h3-4,7,10,12,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 288.32 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106991174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).