1,3-benzodioxol-5-yloxy-chloro-oxophosphanium

C7H5ClO4P+ — CID 123817005

IUPAC1,3-benzodioxol-5-yloxy-chloro-oxophosphanium
SMILESO=[P+](Cl)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C7H5ClO4P/c8-13(9)12-5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2/q+1
InChIKeyRDSRHNIQCKHJKO-UHFFFAOYSA-N
MW219.54 g/mol
LogP2.69
Rot. Bonds2

About 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium

1,3-benzodioxol-5-yloxy-chloro-oxophosphanium (PubChem CID 123817005) has the molecular formula C7H5ClO4P+ and a molecular weight of 219.54 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium.

Molecular Properties

Compound Name1,3-benzodioxol-5-yloxy-chloro-oxophosphanium
PubChem CID123817005
Molecular FormulaC7H5ClO4P+
Molecular Weight219.54 g/mol
Exact Mass218.96
IUPAC Name1,3-benzodioxol-5-yloxy-chloro-oxophosphanium
SMILESO=[P+](Cl)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C7H5ClO4P/c8-13(9)12-5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2/q+1
InChIKeyRDSRHNIQCKHJKO-UHFFFAOYSA-N
XLogP2.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.54
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium 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

1,3-benzodioxol-5-yl 2-aminoacetate
CID 82112116
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
1,3-benzodioxol-5-yl 1-chloroethyl carbonate
CID 86731843
(E)-2-(1,3-benzodioxol-5-yloxy)but-2-enal
CID 163697144
2-(1,3-benzodioxol-5-yloxy)-3,5,6-trichloropyridine
CID 113222181
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
2-(1,3-benzodioxol-5-yloxymethyl)-4-chloroaniline
CID 79582670
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
2-(1,3-benzodioxol-5-yloxy)-1-(4-fluorophenyl)propan-1-one
CID 43413295
5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole
CID 162998944
5-(4-ethylphenoxy)-1,3-benzodioxole
CID 142013581

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium?
The IUPAC name of 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium (CID 123817005) is 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium.
What is the SMILES notation for 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium?
The canonical SMILES for 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium is O=[P+](Cl)Oc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium?
The InChIKey is RDSRHNIQCKHJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO4P/c8-13(9)12-5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2/q+1.
What are the key properties of 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium?
1,3-benzodioxol-5-yloxy-chloro-oxophosphanium has a molecular weight of 219.54 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yloxy-chloro-oxophosphanium is sourced from PubChem (CID 123817005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).