1-[chloro(methyl)phosphoryl]oxypropane

C4H10ClO2P — CID 12653321

IUPAC1-[chloro(methyl)phosphoryl]oxypropane
SMILESCCCOP(C)(=O)Cl
InChIInChI=1S/C4H10ClO2P/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
InChIKeyAHNXMKGELAPFOC-UHFFFAOYSA-N
MW156.55 g/mol
LogP2.47
Rot. Bonds3

About 1-[chloro(methyl)phosphoryl]oxypropane

1-[chloro(methyl)phosphoryl]oxypropane (PubChem CID 12653321) has the molecular formula C4H10ClO2P and a molecular weight of 156.55 g/mol. Its IUPAC name is 1-[chloro(methyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[chloro(methyl)phosphoryl]oxypropane
PubChem CID12653321
Molecular FormulaC4H10ClO2P
Molecular Weight156.55 g/mol
Exact Mass156.01
IUPAC Name1-[chloro(methyl)phosphoryl]oxypropane
SMILESCCCOP(C)(=O)Cl
InChIInChI=1S/C4H10ClO2P/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
InChIKeyAHNXMKGELAPFOC-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.55
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[chloro(methyl)phosphoryl]oxypropane?
The IUPAC name of 1-[chloro(methyl)phosphoryl]oxypropane (CID 12653321) is 1-[chloro(methyl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[chloro(methyl)phosphoryl]oxypropane?
The canonical SMILES for 1-[chloro(methyl)phosphoryl]oxypropane is CCCOP(C)(=O)Cl.
What is the InChIKey of 1-[chloro(methyl)phosphoryl]oxypropane?
The InChIKey is AHNXMKGELAPFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClO2P/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3.
What are the key properties of 1-[chloro(methyl)phosphoryl]oxypropane?
1-[chloro(methyl)phosphoryl]oxypropane has a molecular weight of 156.55 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methyl)phosphoryl]oxypropane is sourced from PubChem (CID 12653321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).