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

C16H16FO3P — CID 5389240

IUPAC(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
SMILESCOP(=O)(/C=C/c1ccccc1)C(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+
InChIKeyXBRSJZRDJLPUJU-VAWYXSNFSA-N
MW306.27 g/mol
LogP4.41
Rot. Bonds5

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

(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol (PubChem CID 5389240) has the molecular formula C16H16FO3P and a molecular weight of 306.27 g/mol. Its IUPAC name is (4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
PubChem CID5389240
Molecular FormulaC16H16FO3P
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Name(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
SMILESCOP(=O)(/C=C/c1ccccc1)C(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+
InChIKeyXBRSJZRDJLPUJU-VAWYXSNFSA-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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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
The IUPAC name of (4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol (CID 5389240) is (4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
The canonical SMILES for (4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol is COP(=O)(/C=C/c1ccccc1)C(O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
The InChIKey is XBRSJZRDJLPUJU-VAWYXSNFSA-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+.
What are the key properties of (4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
(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 (4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol is sourced from PubChem (CID 5389240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).