1,2-dichloro-3-diethoxyphosphorylbenzene

C10H13Cl2O3P — CID 166609863

IUPAC1,2-dichloro-3-diethoxyphosphorylbenzene
SMILESCCOP(=O)(OCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2O3P/c1-3-14-16(13,15-4-2)9-7-5-6-8(11)10(9)12/h5-7H,3-4H2,1-2H3
InChIKeyDEBCOYUVRFIYBT-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.88
Rot. Bonds5

About 1,2-dichloro-3-diethoxyphosphorylbenzene

1,2-dichloro-3-diethoxyphosphorylbenzene (PubChem CID 166609863) has the molecular formula C10H13Cl2O3P and a molecular weight of 283.09 g/mol. Its IUPAC name is 1,2-dichloro-3-diethoxyphosphorylbenzene.

Molecular Properties

Compound Name1,2-dichloro-3-diethoxyphosphorylbenzene
PubChem CID166609863
Molecular FormulaC10H13Cl2O3P
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name1,2-dichloro-3-diethoxyphosphorylbenzene
SMILESCCOP(=O)(OCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2O3P/c1-3-14-16(13,15-4-2)9-7-5-6-8(11)10(9)12/h5-7H,3-4H2,1-2H3
InChIKeyDEBCOYUVRFIYBT-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.88
H-Bond Donors ≤ 50
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 1,2-dichloro-3-diethoxyphosphorylbenzene?
The IUPAC name of 1,2-dichloro-3-diethoxyphosphorylbenzene (CID 166609863) is 1,2-dichloro-3-diethoxyphosphorylbenzene.
What is the SMILES notation for 1,2-dichloro-3-diethoxyphosphorylbenzene?
The canonical SMILES for 1,2-dichloro-3-diethoxyphosphorylbenzene is CCOP(=O)(OCC)c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-diethoxyphosphorylbenzene?
The InChIKey is DEBCOYUVRFIYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2O3P/c1-3-14-16(13,15-4-2)9-7-5-6-8(11)10(9)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 1,2-dichloro-3-diethoxyphosphorylbenzene?
1,2-dichloro-3-diethoxyphosphorylbenzene has a molecular weight of 283.09 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-diethoxyphosphorylbenzene is sourced from PubChem (CID 166609863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).