(S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol

C16H16FO3P — CID 11889442

IUPAC(S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
SMILESCO[P@](=O)(/C=C/c1ccccc1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H16FO3P/c1-20-21(19,12-11-13-5-3-2-4-6-13)16(18)14-7-9-15(17)10-8-14/h2-12,16,18H,1H3/b12-11+/t16-,21+/m0/s1
InChIKeyXBRSJZRDJLPUJU-YSAGGZBMSA-N
MW306.27 g/mol
LogP4.41
Rot. Bonds5

About (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol

(S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol (PubChem CID 11889442) has the molecular formula C16H16FO3P and a molecular weight of 306.27 g/mol. Its IUPAC name is (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol.

Molecular Properties

Compound Name(S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
PubChem CID11889442
Molecular FormulaC16H16FO3P
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Name(S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
SMILESCO[P@](=O)(/C=C/c1ccccc1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H16FO3P/c1-20-21(19,12-11-13-5-3-2-4-6-13)16(18)14-7-9-15(17)10-8-14/h2-12,16,18H,1H3/b12-11+/t16-,21+/m0/s1
InChIKeyXBRSJZRDJLPUJU-YSAGGZBMSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
CID 11902842
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
[(E)-1-(4-fluorophenyl)-3-phenylprop-2-enyl] 2,2-dimethylpropanoate
CID 167189022
[3,3-dimethylbut-1-ynyl(methoxy)phosphoryl]-(4-fluorophenyl)methanol
CID 3456590
(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one
CID 10563799
ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid
CID 11042650
(R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860854
(1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol
CID 11903864
(E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one
CID 129208127
(1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol
CID 11903863
(E)-1-dimethoxyphosphoryl-2-phenylethenol
CID 14736137

Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
The IUPAC name of (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol (CID 11889442) is (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol.
What is the SMILES notation for (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
The canonical SMILES for (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol is CO[P@](=O)(/C=C/c1ccccc1)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
The InChIKey is XBRSJZRDJLPUJU-YSAGGZBMSA-N. The full InChI is InChI=1S/C16H16FO3P/c1-20-21(19,12-11-13-5-3-2-4-6-13)16(18)14-7-9-15(17)10-8-14/h2-12,16,18H,1H3/b12-11+/t16-,21+/m0/s1.
What are the key properties of (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
(S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol has a molecular weight of 306.27 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol is sourced from PubChem (CID 11889442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).