3-diethoxyphosphorylbenzaldehyde

C11H15O4P — CID 10800178

IUPAC3-diethoxyphosphorylbenzaldehyde
SMILESCCOP(=O)(OCC)c1cccc(C=O)c1
InChIInChI=1S/C11H15O4P/c1-3-14-16(13,15-4-2)11-7-5-6-10(8-11)9-12/h5-9H,3-4H2,1-2H3
InChIKeyGFGKYKRNTOHLSP-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.39
Rot. Bonds6

About 3-diethoxyphosphorylbenzaldehyde

3-diethoxyphosphorylbenzaldehyde (PubChem CID 10800178) has the molecular formula C11H15O4P and a molecular weight of 242.21 g/mol. Its IUPAC name is 3-diethoxyphosphorylbenzaldehyde.

Molecular Properties

Compound Name3-diethoxyphosphorylbenzaldehyde
PubChem CID10800178
Molecular FormulaC11H15O4P
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name3-diethoxyphosphorylbenzaldehyde
SMILESCCOP(=O)(OCC)c1cccc(C=O)c1
InChIInChI=1S/C11H15O4P/c1-3-14-16(13,15-4-2)11-7-5-6-10(8-11)9-12/h5-9H,3-4H2,1-2H3
InChIKeyGFGKYKRNTOHLSP-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.39
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

1-diethoxyphosphoryl-3-iodobenzene
CID 18374549
1-diethoxyphosphoryl-3-(difluoromethyl)benzene
CID 166609915
1-diethoxyphosphoryl-3-nitrobenzene
CID 11737034
4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
1-bromo-2-chloro-4-diethoxyphosphorylbenzene
CID 166609988
6-diethoxyphosphorylnaphthalen-2-ol
CID 10492986
4-diethoxyphosphoryl-N-ethylaniline
CID 23415640
2-(3-diethoxyphosphorylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 87472149

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylbenzaldehyde?
The IUPAC name of 3-diethoxyphosphorylbenzaldehyde (CID 10800178) is 3-diethoxyphosphorylbenzaldehyde.
What is the SMILES notation for 3-diethoxyphosphorylbenzaldehyde?
The canonical SMILES for 3-diethoxyphosphorylbenzaldehyde is CCOP(=O)(OCC)c1cccc(C=O)c1.
What is the InChIKey of 3-diethoxyphosphorylbenzaldehyde?
The InChIKey is GFGKYKRNTOHLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4P/c1-3-14-16(13,15-4-2)11-7-5-6-10(8-11)9-12/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-diethoxyphosphorylbenzaldehyde?
3-diethoxyphosphorylbenzaldehyde has a molecular weight of 242.21 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylbenzaldehyde is sourced from PubChem (CID 10800178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).