dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane

C3H5Cl2O3P — CID 174669331

IUPACdichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane
SMILESC#CCOP(O)(O)(Cl)Cl
InChIInChI=1S/C3H5Cl2O3P/c1-2-3-8-9(4,5,6)7/h1,6-7H,3H2
InChIKeyJUWAYNSCIGZVPY-UHFFFAOYSA-N
MW190.95 g/mol
LogP1.23
Rot. Bonds2

About dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane

dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane (PubChem CID 174669331) has the molecular formula C3H5Cl2O3P and a molecular weight of 190.95 g/mol. Its IUPAC name is dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane.

Molecular Properties

Compound Namedichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane
PubChem CID174669331
Molecular FormulaC3H5Cl2O3P
Molecular Weight190.95 g/mol
Exact Mass189.94
IUPAC Namedichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane
SMILESC#CCOP(O)(O)(Cl)Cl
InChIInChI=1S/C3H5Cl2O3P/c1-2-3-8-9(4,5,6)7/h1,6-7H,3H2
InChIKeyJUWAYNSCIGZVPY-UHFFFAOYSA-N
XLogP1.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.95
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane?
The IUPAC name of dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane (CID 174669331) is dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane.
What is the SMILES notation for dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane?
The canonical SMILES for dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane is C#CCOP(O)(O)(Cl)Cl.
What is the InChIKey of dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane?
The InChIKey is JUWAYNSCIGZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2O3P/c1-2-3-8-9(4,5,6)7/h1,6-7H,3H2.
What are the key properties of dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane?
dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane has a molecular weight of 190.95 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane is sourced from PubChem (CID 174669331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).