1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol

C10H14FO2P — CID 130293296

IUPAC1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol
SMILESCCOC(O)Cc1ccc(P)cc1F
InChIInChI=1S/C10H14FO2P/c1-2-13-10(12)5-7-3-4-8(14)6-9(7)11/h3-4,6,10,12H,2,5,14H2,1H3
InChIKeyMIDXXHKOVJVBKO-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.22
Rot. Bonds4

About 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol

1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol (PubChem CID 130293296) has the molecular formula C10H14FO2P and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol.

Molecular Properties

Compound Name1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol
PubChem CID130293296
Molecular FormulaC10H14FO2P
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol
SMILESCCOC(O)Cc1ccc(P)cc1F
InChIInChI=1S/C10H14FO2P/c1-2-13-10(12)5-7-3-4-8(14)6-9(7)11/h3-4,6,10,12H,2,5,14H2,1H3
InChIKeyMIDXXHKOVJVBKO-UHFFFAOYSA-N
XLogP1.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol?
The IUPAC name of 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol (CID 130293296) is 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol.
What is the SMILES notation for 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol?
The canonical SMILES for 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol is CCOC(O)Cc1ccc(P)cc1F.
What is the InChIKey of 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol?
The InChIKey is MIDXXHKOVJVBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FO2P/c1-2-13-10(12)5-7-3-4-8(14)6-9(7)11/h3-4,6,10,12H,2,5,14H2,1H3.
What are the key properties of 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol?
1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol has a molecular weight of 216.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(2-fluoro-4-phosphanylphenyl)ethanol is sourced from PubChem (CID 130293296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).