(1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid

C10H13Br2O3P — CID 12585586

IUPAC(1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid
SMILESCOP(=O)(O)C(Br)(c1ccccc1)C(C)Br
InChIInChI=1S/C10H13Br2O3P/c1-8(11)10(12,16(13,14)15-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14)
InChIKeyIZHKNYYQFXKYCW-UHFFFAOYSA-N
MW371.99 g/mol
LogP3.85
Rot. Bonds4

About (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid

(1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid (PubChem CID 12585586) has the molecular formula C10H13Br2O3P and a molecular weight of 371.99 g/mol. Its IUPAC name is (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid.

Molecular Properties

Compound Name(1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid
PubChem CID12585586
Molecular FormulaC10H13Br2O3P
Molecular Weight371.99 g/mol
Exact Mass369.90
IUPAC Name(1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid
SMILESCOP(=O)(O)C(Br)(c1ccccc1)C(C)Br
InChIInChI=1S/C10H13Br2O3P/c1-8(11)10(12,16(13,14)15-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14)
InChIKeyIZHKNYYQFXKYCW-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.99
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
CID 10438081
1-(tritylamino)ethylphosphonic acid
CID 150279074
(1-methoxy-3-methyl-1-oxo-3-phenylbutan-2-yl)phosphonic acid
CID 57196797
(1S)-1-dimethoxyphosphoryl-1-phenylpropan-1-ol
CID 125471750
1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol
CID 102046247
(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
CID 23199837
2-chloro-1-dimethoxyphosphoryl-1-phenylethanol
CID 12886121
dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 132992304
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556
tris(1,1,3-tribromo-2,2-dimethyl-3,3-diphenylpropyl) phosphate
CID 139650290
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
methyl 2,2-dibromo-2-phenylacetate
CID 59974916

Frequently Asked Questions

What is the IUPAC name of (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid?
The IUPAC name of (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid (CID 12585586) is (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid.
What is the SMILES notation for (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid?
The canonical SMILES for (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid is COP(=O)(O)C(Br)(c1ccccc1)C(C)Br.
What is the InChIKey of (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid?
The InChIKey is IZHKNYYQFXKYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2O3P/c1-8(11)10(12,16(13,14)15-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14).
What are the key properties of (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid?
(1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid has a molecular weight of 371.99 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dibromo-1-phenylpropyl)-methoxyphosphinic acid is sourced from PubChem (CID 12585586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).