1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol

C6H14ClO3P — CID 85099777

IUPAC1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol
SMILESCCOP(C)(=O)CC(O)CCl
InChIInChI=1S/C6H14ClO3P/c1-3-10-11(2,9)5-6(8)4-7/h6,8H,3-5H2,1-2H3
InChIKeyCSZFKGVECGMFRL-UHFFFAOYSA-N
MW200.60 g/mol
LogP1.53
Rot. Bonds5

About 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol

1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol (PubChem CID 85099777) has the molecular formula C6H14ClO3P and a molecular weight of 200.60 g/mol. Its IUPAC name is 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol
PubChem CID85099777
Molecular FormulaC6H14ClO3P
Molecular Weight200.60 g/mol
Exact Mass200.04
IUPAC Name1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol
SMILESCCOP(C)(=O)CC(O)CCl
InChIInChI=1S/C6H14ClO3P/c1-3-10-11(2,9)5-6(8)4-7/h6,8H,3-5H2,1-2H3
InChIKeyCSZFKGVECGMFRL-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-chloro-3-diethoxyphosphorylpropan-2-ol
CID 11009786
(1R,2S)-1-chloro-1-diethoxyphosphorylpropan-2-ol
CID 12087715
Diethyl (3-chloro-2-hydroxypropyl)phosphonate
CID 14111822
(3-Chloro-2-hydroxypropyl)phosphonic acid
CID 5047467
Ctk1A9237
CID 10977299
[(2R)-3-Chloro-2-hydroxypropyl]phosphonic acid
CID 15867543
(1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol
CID 56958446
(1R,2S)-1-chloro-1-diethoxyphosphorylbutan-2-ol
CID 101524292
(1S,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol
CID 101553029
(s)-2-Hydroxy-3-chloropropylphosphonic acid
CID 124393847
(1S,2R)-1-chloro-1-diethoxyphosphorylpropan-2-ol
CID 11229986
(2-Chloroethoxy)(1-hydroxyethyl)oxophosphanium
CID 13504122

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol?
The IUPAC name of 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol (CID 85099777) is 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol?
The canonical SMILES for 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol is CCOP(C)(=O)CC(O)CCl.
What is the InChIKey of 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol?
The InChIKey is CSZFKGVECGMFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO3P/c1-3-10-11(2,9)5-6(8)4-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol?
1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol has a molecular weight of 200.60 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[ethoxy(methyl)phosphoryl]propan-2-ol is sourced from PubChem (CID 85099777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).