(4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol

C15H16BrO3P — CID 2910238

IUPAC(4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol
SMILESCCOP(=O)(c1ccccc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrO3P/c1-2-19-20(18,14-6-4-3-5-7-14)15(17)12-8-10-13(16)11-9-12/h3-11,15,17H,2H2,1H3
InChIKeyNGXJPBQJSVMJGQ-UHFFFAOYSA-N
MW355.17 g/mol
LogP4.08
Rot. Bonds5

About (4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol

(4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol (PubChem CID 2910238) has the molecular formula C15H16BrO3P and a molecular weight of 355.17 g/mol. Its IUPAC name is (4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol.

Molecular Properties

Compound Name(4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol
PubChem CID2910238
Molecular FormulaC15H16BrO3P
Molecular Weight355.17 g/mol
Exact Mass354.00
IUPAC Name(4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol
SMILESCCOP(=O)(c1ccccc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrO3P/c1-2-19-20(18,14-6-4-3-5-7-14)15(17)12-8-10-13(16)11-9-12/h3-11,15,17H,2H2,1H3
InChIKeyNGXJPBQJSVMJGQ-UHFFFAOYSA-N
XLogP4.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 54.08
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-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol?
The IUPAC name of (4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol (CID 2910238) is (4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol.
What is the SMILES notation for (4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol?
The canonical SMILES for (4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol is CCOP(=O)(c1ccccc1)C(O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol?
The InChIKey is NGXJPBQJSVMJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrO3P/c1-2-19-20(18,14-6-4-3-5-7-14)15(17)12-8-10-13(16)11-9-12/h3-11,15,17H,2H2,1H3.
What are the key properties of (4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol?
(4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol has a molecular weight of 355.17 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[ethoxy(phenyl)phosphoryl]methanol is sourced from PubChem (CID 2910238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).