(4-bromophenyl)-diethoxyphosphorylmethanol

C11H16BrO4P — CID 5182513

IUPAC(4-bromophenyl)-diethoxyphosphorylmethanol
SMILESCCOP(=O)(OCC)C(O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrO4P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyOFZFDAPSYVGZIG-UHFFFAOYSA-N
MW323.12 g/mol
LogP3.71
Rot. Bonds6

About (4-bromophenyl)-diethoxyphosphorylmethanol

(4-bromophenyl)-diethoxyphosphorylmethanol (PubChem CID 5182513) has the molecular formula C11H16BrO4P and a molecular weight of 323.12 g/mol. Its IUPAC name is (4-bromophenyl)-diethoxyphosphorylmethanol.

Molecular Properties

Compound Name(4-bromophenyl)-diethoxyphosphorylmethanol
PubChem CID5182513
Molecular FormulaC11H16BrO4P
Molecular Weight323.12 g/mol
Exact Mass322.00
IUPAC Name(4-bromophenyl)-diethoxyphosphorylmethanol
SMILESCCOP(=O)(OCC)C(O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrO4P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyOFZFDAPSYVGZIG-UHFFFAOYSA-N
XLogP3.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-diethoxyphosphorylmethanol?
The IUPAC name of (4-bromophenyl)-diethoxyphosphorylmethanol (CID 5182513) is (4-bromophenyl)-diethoxyphosphorylmethanol.
What is the SMILES notation for (4-bromophenyl)-diethoxyphosphorylmethanol?
The canonical SMILES for (4-bromophenyl)-diethoxyphosphorylmethanol is CCOP(=O)(OCC)C(O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-diethoxyphosphorylmethanol?
The InChIKey is OFZFDAPSYVGZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrO4P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3.
What are the key properties of (4-bromophenyl)-diethoxyphosphorylmethanol?
(4-bromophenyl)-diethoxyphosphorylmethanol has a molecular weight of 323.12 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-diethoxyphosphorylmethanol is sourced from PubChem (CID 5182513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).