(3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite

C3H8ClO5P — CID 59937036

IUPAC(3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite
SMILESOOP(O)OCC(O)CCl
InChIInChI=1S/C3H8ClO5P/c4-1-3(5)2-8-10(7)9-6/h3,5-7H,1-2H2
InChIKeyWSVLSFQLBCHWSH-UHFFFAOYSA-N
MW190.52 g/mol
LogP0.31
Rot. Bonds5

About (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite

(3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite (PubChem CID 59937036) has the molecular formula C3H8ClO5P and a molecular weight of 190.52 g/mol. Its IUPAC name is (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite.

Molecular Properties

Compound Name(3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite
PubChem CID59937036
Molecular FormulaC3H8ClO5P
Molecular Weight190.52 g/mol
Exact Mass189.98
IUPAC Name(3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite
SMILESOOP(O)OCC(O)CCl
InChIInChI=1S/C3H8ClO5P/c4-1-3(5)2-8-10(7)9-6/h3,5-7H,1-2H2
InChIKeyWSVLSFQLBCHWSH-UHFFFAOYSA-N
XLogP0.31
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.52
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-aminooxy-3-chloropropan-2-ol
CID 129235257
sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride
CID 174353627
1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol
CID 112560865
3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 90003830
(3-chloro-2-hydroxypropyl) nitrate
CID 10931674
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
1,2-Propanediol, 3-chloro-, 1-(hydrogen sulfate), sodium salt (1:1)
CID 170846619
1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 174758586
1-chloro-3-methoxyphosphanyloxypropan-2-ol
CID 88908247
1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
CID 71441962
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite?
The IUPAC name of (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite (CID 59937036) is (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite.
What is the SMILES notation for (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite?
The canonical SMILES for (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite is OOP(O)OCC(O)CCl.
What is the InChIKey of (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite?
The InChIKey is WSVLSFQLBCHWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClO5P/c4-1-3(5)2-8-10(7)9-6/h3,5-7H,1-2H2.
What are the key properties of (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite?
(3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite has a molecular weight of 190.52 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite is sourced from PubChem (CID 59937036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).