2-diethoxyphosphorylbenzaldehyde;toluene

C18H23O4P — CID 161160317

IUPAC2-diethoxyphosphorylbenzaldehyde;toluene
SMILESCCOP(=O)(OCC)c1ccccc1C=O.Cc1ccccc1
InChIInChI=1S/C11H15O4P.C7H8/c1-3-14-16(13,15-4-2)11-8-6-5-7-10(11)9-12;1-7-5-3-2-4-6-7/h5-9H,3-4H2,1-2H3;2-6H,1H3
InChIKeyUPVJNKLNYLIFSZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.39
Rot. Bonds6

About 2-diethoxyphosphorylbenzaldehyde;toluene

2-diethoxyphosphorylbenzaldehyde;toluene (PubChem CID 161160317) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-diethoxyphosphorylbenzaldehyde;toluene.

Molecular Properties

Compound Name2-diethoxyphosphorylbenzaldehyde;toluene
PubChem CID161160317
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name2-diethoxyphosphorylbenzaldehyde;toluene
SMILESCCOP(=O)(OCC)c1ccccc1C=O.Cc1ccccc1
InChIInChI=1S/C11H15O4P.C7H8/c1-3-14-16(13,15-4-2)11-8-6-5-7-10(11)9-12;1-7-5-3-2-4-6-7/h5-9H,3-4H2,1-2H3;2-6H,1H3
InChIKeyUPVJNKLNYLIFSZ-UHFFFAOYSA-N
XLogP4.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.39
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-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene
CID 101430147
1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
CID 12651419
1-diethoxyphosphoryl-4-methylnaphthalene
CID 122695096
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
2-diethoxyphosphoryl-6-methylaniline
CID 54543104
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1,2-dichloro-3-diethoxyphosphorylbenzene
CID 166609863
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene
CID 90989382
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831
1-diethoxyphosphoryl-2-hex-1-ynylbenzene
CID 12988807

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylbenzaldehyde;toluene?
The IUPAC name of 2-diethoxyphosphorylbenzaldehyde;toluene (CID 161160317) is 2-diethoxyphosphorylbenzaldehyde;toluene.
What is the SMILES notation for 2-diethoxyphosphorylbenzaldehyde;toluene?
The canonical SMILES for 2-diethoxyphosphorylbenzaldehyde;toluene is CCOP(=O)(OCC)c1ccccc1C=O.Cc1ccccc1.
What is the InChIKey of 2-diethoxyphosphorylbenzaldehyde;toluene?
The InChIKey is UPVJNKLNYLIFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4P.C7H8/c1-3-14-16(13,15-4-2)11-8-6-5-7-10(11)9-12;1-7-5-3-2-4-6-7/h5-9H,3-4H2,1-2H3;2-6H,1H3.
What are the key properties of 2-diethoxyphosphorylbenzaldehyde;toluene?
2-diethoxyphosphorylbenzaldehyde;toluene has a molecular weight of 334.35 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylbenzaldehyde;toluene is sourced from PubChem (CID 161160317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).