2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde

C10H12ClO4P — CID 88599323

IUPAC2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde
SMILESCOP(=O)(OC)C(C=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClO4P/c1-14-16(13,15-2)10(7-12)8-5-3-4-6-9(8)11/h3-7,10H,1-2H3
InChIKeyHMSNALCAANJCBW-UHFFFAOYSA-N
MW262.63 g/mol
LogP3.07
Rot. Bonds5

About 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde

2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde (PubChem CID 88599323) has the molecular formula C10H12ClO4P and a molecular weight of 262.63 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde
PubChem CID88599323
Molecular FormulaC10H12ClO4P
Molecular Weight262.63 g/mol
Exact Mass262.02
IUPAC Name2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde
SMILESCOP(=O)(OC)C(C=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClO4P/c1-14-16(13,15-2)10(7-12)8-5-3-4-6-9(8)11/h3-7,10H,1-2H3
InChIKeyHMSNALCAANJCBW-UHFFFAOYSA-N
XLogP3.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.63
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[chloro-(2-chlorophenyl)methyl] dimethyl phosphate
CID 20511059
N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline
CID 102204724
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
1,2-dichlorobenzene;methyl formate
CID 162103259
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde
CID 130624407
1-(2-chlorophenyl)-2-oxoethanesulfonic acid
CID 54513832
methyl (E)-3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]prop-2-enoate
CID 103260159
4-amino-2-(2-chlorophenyl)butanal
CID 134207919
[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
CID 101067310
2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 66438264
[dimethoxyphosphoryl(nitroso)methyl]benzene
CID 56977499

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde?
The IUPAC name of 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde (CID 88599323) is 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde.
What is the SMILES notation for 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde?
The canonical SMILES for 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde is COP(=O)(OC)C(C=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde?
The InChIKey is HMSNALCAANJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClO4P/c1-14-16(13,15-2)10(7-12)8-5-3-4-6-9(8)11/h3-7,10H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde?
2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde has a molecular weight of 262.63 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde is sourced from PubChem (CID 88599323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).