[ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol

C10H14FO4P — CID 170897190

IUPAC[ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol
SMILESCCOP(=O)(CO)OCc1ccc(F)cc1
InChIInChI=1S/C10H14FO4P/c1-2-14-16(13,8-12)15-7-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKeyGSDRCDKSXGJUBI-UHFFFAOYSA-N
MW248.19 g/mol
LogP2.52
Rot. Bonds6

About [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol

[ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol (PubChem CID 170897190) has the molecular formula C10H14FO4P and a molecular weight of 248.19 g/mol. Its IUPAC name is [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol.

Molecular Properties

Compound Name[ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol
PubChem CID170897190
Molecular FormulaC10H14FO4P
Molecular Weight248.19 g/mol
Exact Mass248.06
IUPAC Name[ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol
SMILESCCOP(=O)(CO)OCc1ccc(F)cc1
InChIInChI=1S/C10H14FO4P/c1-2-14-16(13,8-12)15-7-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKeyGSDRCDKSXGJUBI-UHFFFAOYSA-N
XLogP2.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol?
The IUPAC name of [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol (CID 170897190) is [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol.
What is the SMILES notation for [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol?
The canonical SMILES for [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol is CCOP(=O)(CO)OCc1ccc(F)cc1.
What is the InChIKey of [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol?
The InChIKey is GSDRCDKSXGJUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FO4P/c1-2-14-16(13,8-12)15-7-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3.
What are the key properties of [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol?
[ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol has a molecular weight of 248.19 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol is sourced from PubChem (CID 170897190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).