1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene

C12H19ClO6P2 — CID 10193691

IUPAC1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene
SMILESCOP(=O)(OC)C(Cc1ccc(Cl)cc1)P(=O)(OC)OC
InChIInChI=1S/C12H19ClO6P2/c1-16-20(14,17-2)12(21(15,18-3)19-4)9-10-5-7-11(13)8-6-10/h5-8,12H,9H2,1-4H3
InChIKeyAZSXDAWBCWWADI-UHFFFAOYSA-N
MW356.68 g/mol
LogP4.18
Rot. Bonds8

About 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene

1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene (PubChem CID 10193691) has the molecular formula C12H19ClO6P2 and a molecular weight of 356.68 g/mol. Its IUPAC name is 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene
PubChem CID10193691
Molecular FormulaC12H19ClO6P2
Molecular Weight356.68 g/mol
Exact Mass356.03
IUPAC Name1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene
SMILESCOP(=O)(OC)C(Cc1ccc(Cl)cc1)P(=O)(OC)OC
InChIInChI=1S/C12H19ClO6P2/c1-16-20(14,17-2)12(21(15,18-3)19-4)9-10-5-7-11(13)8-6-10/h5-8,12H,9H2,1-4H3
InChIKeyAZSXDAWBCWWADI-UHFFFAOYSA-N
XLogP4.18
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.68
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene?
The IUPAC name of 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene (CID 10193691) is 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene.
What is the SMILES notation for 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene?
The canonical SMILES for 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene is COP(=O)(OC)C(Cc1ccc(Cl)cc1)P(=O)(OC)OC.
What is the InChIKey of 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene?
The InChIKey is AZSXDAWBCWWADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO6P2/c1-16-20(14,17-2)12(21(15,18-3)19-4)9-10-5-7-11(13)8-6-10/h5-8,12H,9H2,1-4H3.
What are the key properties of 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene?
1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene has a molecular weight of 356.68 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene is sourced from PubChem (CID 10193691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).