1-chloro-2-phosphanyloxyethanol

C2H6ClO2P — CID 130417579

IUPAC1-chloro-2-phosphanyloxyethanol
SMILESOC(Cl)COP
InChIInChI=1S/C2H6ClO2P/c3-2(4)1-5-6/h2,4H,1,6H2
InChIKeyPNWJYGSQVKPHFC-UHFFFAOYSA-N
MW128.50 g/mol
LogP0.35
Rot. Bonds2

About 1-chloro-2-phosphanyloxyethanol

1-chloro-2-phosphanyloxyethanol (PubChem CID 130417579) has the molecular formula C2H6ClO2P and a molecular weight of 128.50 g/mol. Its IUPAC name is 1-chloro-2-phosphanyloxyethanol.

Molecular Properties

Compound Name1-chloro-2-phosphanyloxyethanol
PubChem CID130417579
Molecular FormulaC2H6ClO2P
Molecular Weight128.50 g/mol
Exact Mass127.98
IUPAC Name1-chloro-2-phosphanyloxyethanol
SMILESOC(Cl)COP
InChIInChI=1S/C2H6ClO2P/c3-2(4)1-5-6/h2,4H,1,6H2
InChIKeyPNWJYGSQVKPHFC-UHFFFAOYSA-N
XLogP0.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.50
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-phosphanyloxyethanol?
The IUPAC name of 1-chloro-2-phosphanyloxyethanol (CID 130417579) is 1-chloro-2-phosphanyloxyethanol.
What is the SMILES notation for 1-chloro-2-phosphanyloxyethanol?
The canonical SMILES for 1-chloro-2-phosphanyloxyethanol is OC(Cl)COP.
What is the InChIKey of 1-chloro-2-phosphanyloxyethanol?
The InChIKey is PNWJYGSQVKPHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClO2P/c3-2(4)1-5-6/h2,4H,1,6H2.
What are the key properties of 1-chloro-2-phosphanyloxyethanol?
1-chloro-2-phosphanyloxyethanol has a molecular weight of 128.50 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-phosphanyloxyethanol is sourced from PubChem (CID 130417579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).