2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde

C10H11O2P — CID 123953447

IUPAC2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde
SMILESCPC(=O)Cc1ccccc1C=O
InChIInChI=1S/C10H11O2P/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5,7,13H,6H2,1H3
InChIKeyXQSSXUGZIBJGNO-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.88
Rot. Bonds4

About 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde

2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde (PubChem CID 123953447) has the molecular formula C10H11O2P and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde
PubChem CID123953447
Molecular FormulaC10H11O2P
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde
SMILESCPC(=O)Cc1ccccc1C=O
InChIInChI=1S/C10H11O2P/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5,7,13H,6H2,1H3
InChIKeyXQSSXUGZIBJGNO-UHFFFAOYSA-N
XLogP1.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2-oxopropyl)benzaldehyde
CID 170836637
2-(2,2-dihydroxyethyl)benzaldehyde
CID 165000650
2-(2,2-dimethylpropyl)benzaldehyde
CID 10103697
(2-formylphenyl)methyl 2,2-dimethylpropanoate
CID 10560870
2-benzamidoacetic acid;2-(2-formylphenyl)acetic acid
CID 86664383
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
1-(2-formylphenyl)but-3-en-2-yl methyl carbonate
CID 20765022
2-phenylethyl 2-(2-formylphenyl)acetate
CID 169081961
2-[[di(propan-2-yl)amino]methyl]benzaldehyde
CID 91657782
2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde
CID 91656478
N-(2-formylphenyl)-2-methylpropanamide
CID 54327705
2-[(2E,4E)-hexa-2,4-dienyl]benzaldehyde
CID 11084574

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde?
The IUPAC name of 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde (CID 123953447) is 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde.
What is the SMILES notation for 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde?
The canonical SMILES for 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde is CPC(=O)Cc1ccccc1C=O.
What is the InChIKey of 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde?
The InChIKey is XQSSXUGZIBJGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2P/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5,7,13H,6H2,1H3.
What are the key properties of 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde?
2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde has a molecular weight of 194.17 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde is sourced from PubChem (CID 123953447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).