(R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol

C17H16FO3P — CID 11860854

IUPAC(R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol
SMILESCCO[P@@](=O)(C#Cc1ccccc1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H16FO3P/c1-2-21-22(20,13-12-14-6-4-3-5-7-14)17(19)15-8-10-16(18)11-9-15/h3-11,17,19H,2H2,1H3/t17-,22+/m1/s1
InChIKeyNUPBQEKAMMSXQM-VGSWGCGISA-N
MW318.28 g/mol
LogP4.14
Rot. Bonds4

About (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol

(R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol (PubChem CID 11860854) has the molecular formula C17H16FO3P and a molecular weight of 318.28 g/mol. Its IUPAC name is (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol
PubChem CID11860854
Molecular FormulaC17H16FO3P
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC Name(R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol
SMILESCCO[P@@](=O)(C#Cc1ccccc1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H16FO3P/c1-2-21-22(20,13-12-14-6-4-3-5-7-14)17(19)15-8-10-16(18)11-9-15/h3-11,17,19H,2H2,1H3/t17-,22+/m1/s1
InChIKeyNUPBQEKAMMSXQM-VGSWGCGISA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol?
The IUPAC name of (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol (CID 11860854) is (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol.
What is the SMILES notation for (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol?
The canonical SMILES for (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol is CCO[P@@](=O)(C#Cc1ccccc1)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol?
The InChIKey is NUPBQEKAMMSXQM-VGSWGCGISA-N. The full InChI is InChI=1S/C17H16FO3P/c1-2-21-22(20,13-12-14-6-4-3-5-7-14)17(19)15-8-10-16(18)11-9-15/h3-11,17,19H,2H2,1H3/t17-,22+/m1/s1.
What are the key properties of (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol?
(R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol has a molecular weight of 318.28 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 11860854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).