(2-formylphenyl)methyl dihydrogen phosphate

C8H9O5P — CID 143907247

IUPAC(2-formylphenyl)methyl dihydrogen phosphate
SMILESO=Cc1ccccc1COP(=O)(O)O
InChIInChI=1S/C8H9O5P/c9-5-7-3-1-2-4-8(7)6-13-14(10,11)12/h1-5H,6H2,(H2,10,11,12)
InChIKeyKLXNBGWPBJQUCB-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.11
Rot. Bonds4

About (2-formylphenyl)methyl dihydrogen phosphate

(2-formylphenyl)methyl dihydrogen phosphate (PubChem CID 143907247) has the molecular formula C8H9O5P and a molecular weight of 216.13 g/mol. Its IUPAC name is (2-formylphenyl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(2-formylphenyl)methyl dihydrogen phosphate
PubChem CID143907247
Molecular FormulaC8H9O5P
Molecular Weight216.13 g/mol
Exact Mass216.02
IUPAC Name(2-formylphenyl)methyl dihydrogen phosphate
SMILESO=Cc1ccccc1COP(=O)(O)O
InChIInChI=1S/C8H9O5P/c9-5-7-3-1-2-4-8(7)6-13-14(10,11)12/h1-5H,6H2,(H2,10,11,12)
InChIKeyKLXNBGWPBJQUCB-UHFFFAOYSA-N
XLogP1.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745
(2-formylphenyl)methyl 2,2-dimethylpropanoate
CID 10560870
2-(2,2-dihydroxyethyl)benzaldehyde
CID 165000650
[4-(phosphonooxymethyl)phenyl]methyl dihydrogen phosphate
CID 118583982
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
2-(3-chloro-2-oxopropyl)benzaldehyde
CID 170836637
2-(cyclohexylmethoxymethyl)benzaldehyde
CID 91656697
2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde
CID 87257554
[4-formyl-5-hydroxy-6-(trifluoromethyl)-3-pyridinyl]methyl dihydrogen phosphate
CID 162599406
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
phenol;prop-2-enyl dihydrogen phosphate
CID 66654883
2-[[di(propan-2-yl)amino]methyl]benzaldehyde
CID 91657782

Frequently Asked Questions

What is the IUPAC name of (2-formylphenyl)methyl dihydrogen phosphate?
The IUPAC name of (2-formylphenyl)methyl dihydrogen phosphate (CID 143907247) is (2-formylphenyl)methyl dihydrogen phosphate.
What is the SMILES notation for (2-formylphenyl)methyl dihydrogen phosphate?
The canonical SMILES for (2-formylphenyl)methyl dihydrogen phosphate is O=Cc1ccccc1COP(=O)(O)O.
What is the InChIKey of (2-formylphenyl)methyl dihydrogen phosphate?
The InChIKey is KLXNBGWPBJQUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O5P/c9-5-7-3-1-2-4-8(7)6-13-14(10,11)12/h1-5H,6H2,(H2,10,11,12).
What are the key properties of (2-formylphenyl)methyl dihydrogen phosphate?
(2-formylphenyl)methyl dihydrogen phosphate has a molecular weight of 216.13 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylphenyl)methyl dihydrogen phosphate is sourced from PubChem (CID 143907247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).