(3,5-diformylphenyl) dipropan-2-yl phosphate

C14H19O6P — CID 175889765

IUPAC(3,5-diformylphenyl) dipropan-2-yl phosphate
SMILESCC(C)OP(=O)(Oc1cc(C=O)cc(C=O)c1)OC(C)C
InChIInChI=1S/C14H19O6P/c1-10(2)18-21(17,19-11(3)4)20-14-6-12(8-15)5-13(7-14)9-16/h5-11H,1-4H3
InChIKeyRZWUEKGDWRLBPZ-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.65
Rot. Bonds8

About (3,5-diformylphenyl) dipropan-2-yl phosphate

(3,5-diformylphenyl) dipropan-2-yl phosphate (PubChem CID 175889765) has the molecular formula C14H19O6P and a molecular weight of 314.27 g/mol. Its IUPAC name is (3,5-diformylphenyl) dipropan-2-yl phosphate.

Molecular Properties

Compound Name(3,5-diformylphenyl) dipropan-2-yl phosphate
PubChem CID175889765
Molecular FormulaC14H19O6P
Molecular Weight314.27 g/mol
Exact Mass314.09
IUPAC Name(3,5-diformylphenyl) dipropan-2-yl phosphate
SMILESCC(C)OP(=O)(Oc1cc(C=O)cc(C=O)c1)OC(C)C
InChIInChI=1S/C14H19O6P/c1-10(2)18-21(17,19-11(3)4)20-14-6-12(8-15)5-13(7-14)9-16/h5-11H,1-4H3
InChIKeyRZWUEKGDWRLBPZ-UHFFFAOYSA-N
XLogP3.65
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-propan-2-yloxybenzaldehyde
CID 131540218
diethyl (4-formylphenyl) phosphate
CID 10539111
methyl (4-nitrophenyl) propan-2-yl phosphate
CID 71452799
bis(2,6-dimethylphenyl) propan-2-yl phosphate
CID 160920059
3-methyl-5-trimethylsilyloxybenzaldehyde
CID 131106170
5-prop-2-enoxybenzene-1,3-dicarbaldehyde
CID 10750177
(4-nitrophenyl) phenyl propan-2-yl phosphate
CID 11393558
methane;methyl dipropan-2-yl phosphate
CID 158565801
2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde
CID 3760305
2-methylpropane;triphenyl phosphate
CID 91193965
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
CID 15410462

Frequently Asked Questions

What is the IUPAC name of (3,5-diformylphenyl) dipropan-2-yl phosphate?
The IUPAC name of (3,5-diformylphenyl) dipropan-2-yl phosphate (CID 175889765) is (3,5-diformylphenyl) dipropan-2-yl phosphate.
What is the SMILES notation for (3,5-diformylphenyl) dipropan-2-yl phosphate?
The canonical SMILES for (3,5-diformylphenyl) dipropan-2-yl phosphate is CC(C)OP(=O)(Oc1cc(C=O)cc(C=O)c1)OC(C)C.
What is the InChIKey of (3,5-diformylphenyl) dipropan-2-yl phosphate?
The InChIKey is RZWUEKGDWRLBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O6P/c1-10(2)18-21(17,19-11(3)4)20-14-6-12(8-15)5-13(7-14)9-16/h5-11H,1-4H3.
What are the key properties of (3,5-diformylphenyl) dipropan-2-yl phosphate?
(3,5-diformylphenyl) dipropan-2-yl phosphate has a molecular weight of 314.27 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diformylphenyl) dipropan-2-yl phosphate is sourced from PubChem (CID 175889765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).