dimethoxyphosphorylselanylmethylbenzene

C9H13O3PSe — CID 86578734

IUPACdimethoxyphosphorylselanylmethylbenzene
SMILESCOP(=O)(OC)[Se]Cc1ccccc1
InChIInChI=1S/C9H13O3PSe/c1-11-13(10,12-2)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyDHBKLBUQTJJAEX-UHFFFAOYSA-N
MW279.13 g/mol
LogP2.29
Rot. Bonds5

About dimethoxyphosphorylselanylmethylbenzene

dimethoxyphosphorylselanylmethylbenzene (PubChem CID 86578734) has the molecular formula C9H13O3PSe and a molecular weight of 279.13 g/mol. Its IUPAC name is dimethoxyphosphorylselanylmethylbenzene.

Molecular Properties

Compound Namedimethoxyphosphorylselanylmethylbenzene
PubChem CID86578734
Molecular FormulaC9H13O3PSe
Molecular Weight279.13 g/mol
Exact Mass279.98
IUPAC Namedimethoxyphosphorylselanylmethylbenzene
SMILESCOP(=O)(OC)[Se]Cc1ccccc1
InChIInChI=1S/C9H13O3PSe/c1-11-13(10,12-2)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyDHBKLBUQTJJAEX-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dimethoxyphosphorylselanylmethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dimethoxyphosphoryl-1-phenylmethanamine
CID 10954934
benzylselanyl-dihydroxy-selanylidene-λ5-phosphane
CID 173221458
1-dimethoxyphosphoryl-2-phenylethanamine
CID 12504647
[benzyl(methoxy)phosphoryl]methanol
CID 54224349
benzylselanyl-diphenyl-selanylidene-λ5-phosphane
CID 102523917
[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene
CID 14030878
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
N-[methoxy(methyl)phosphoryl]oxy-1-phenylmethanamine
CID 91066973
benzyl ethyl methyl phosphate
CID 152677778
benzylbenzene;methoxymethane
CID 161110966
2-methoxyethylbenzene
CID 19089
2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol
CID 15584229

Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphorylselanylmethylbenzene?
The IUPAC name of dimethoxyphosphorylselanylmethylbenzene (CID 86578734) is dimethoxyphosphorylselanylmethylbenzene.
What is the SMILES notation for dimethoxyphosphorylselanylmethylbenzene?
The canonical SMILES for dimethoxyphosphorylselanylmethylbenzene is COP(=O)(OC)[Se]Cc1ccccc1.
What is the InChIKey of dimethoxyphosphorylselanylmethylbenzene?
The InChIKey is DHBKLBUQTJJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3PSe/c1-11-13(10,12-2)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of dimethoxyphosphorylselanylmethylbenzene?
dimethoxyphosphorylselanylmethylbenzene has a molecular weight of 279.13 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphorylselanylmethylbenzene is sourced from PubChem (CID 86578734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).