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

C16H16BrO3P — CID 11902842

IUPAC(R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
SMILESCO[P@@](=O)(/C=C/c1ccccc1)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrO3P/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+/m1/s1
InChIKeyGXANEENDZKQGIC-YCZVXOAYSA-N
MW367.18 g/mol
LogP5.04
Rot. Bonds5

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

(R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol (PubChem CID 11902842) has the molecular formula C16H16BrO3P and a molecular weight of 367.18 g/mol. Its IUPAC name is (R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol.

Molecular Properties

Compound Name(R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
PubChem CID11902842
Molecular FormulaC16H16BrO3P
Molecular Weight367.18 g/mol
Exact Mass366.00
IUPAC Name(R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
SMILESCO[P@@](=O)(/C=C/c1ccccc1)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrO3P/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+/m1/s1
InChIKeyGXANEENDZKQGIC-YCZVXOAYSA-N
XLogP5.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.18
LogP ≤ 55.04
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 (R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
The IUPAC name of (R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol (CID 11902842) is (R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol.
What is the SMILES notation for (R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
The canonical SMILES for (R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol is CO[P@@](=O)(/C=C/c1ccccc1)[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
The InChIKey is GXANEENDZKQGIC-YCZVXOAYSA-N. The full InChI is InChI=1S/C16H16BrO3P/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+/m1/s1.
What are the key properties of (R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol?
(R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol has a molecular weight of 367.18 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol is sourced from PubChem (CID 11902842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).