bis(2-formylphenoxy)-oxophosphanium

C14H10O5P+ — CID 87515933

IUPACbis(2-formylphenoxy)-oxophosphanium
SMILESO=Cc1ccccc1O[P+](=O)Oc1ccccc1C=O
InChIInChI=1S/C14H10O5P/c15-9-11-5-1-3-7-13(11)18-20(17)19-14-8-4-2-6-12(14)10-16/h1-10H/q+1
InChIKeyKEBZJRSUNQKDHC-UHFFFAOYSA-N
MW289.20 g/mol
LogP3.43
Rot. Bonds6

About bis(2-formylphenoxy)-oxophosphanium

bis(2-formylphenoxy)-oxophosphanium (PubChem CID 87515933) has the molecular formula C14H10O5P+ and a molecular weight of 289.20 g/mol. Its IUPAC name is bis(2-formylphenoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-formylphenoxy)-oxophosphanium
PubChem CID87515933
Molecular FormulaC14H10O5P+
Molecular Weight289.20 g/mol
Exact Mass289.03
IUPAC Namebis(2-formylphenoxy)-oxophosphanium
SMILESO=Cc1ccccc1O[P+](=O)Oc1ccccc1C=O
InChIInChI=1S/C14H10O5P/c15-9-11-5-1-3-7-13(11)18-20(17)19-14-8-4-2-6-12(14)10-16/h1-10H/q+1
InChIKeyKEBZJRSUNQKDHC-UHFFFAOYSA-N
XLogP3.43
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-methylperoxybenzaldehyde
CID 23505479
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
2-ethynoxybenzaldehyde
CID 12559935
(2-formyl-6-methoxyphenoxy)-oxido-oxophosphanium
CID 162540271
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
bis(2-benzylphenoxy)-oxophosphanium
CID 67546168
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
(2-formylphenyl) ethanesulfonate
CID 142982567
2-(4-bromophenoxy)benzaldehyde
CID 28604058
(2-formylphenyl) nitrate;methanol
CID 175529828

Frequently Asked Questions

What is the IUPAC name of bis(2-formylphenoxy)-oxophosphanium?
The IUPAC name of bis(2-formylphenoxy)-oxophosphanium (CID 87515933) is bis(2-formylphenoxy)-oxophosphanium.
What is the SMILES notation for bis(2-formylphenoxy)-oxophosphanium?
The canonical SMILES for bis(2-formylphenoxy)-oxophosphanium is O=Cc1ccccc1O[P+](=O)Oc1ccccc1C=O.
What is the InChIKey of bis(2-formylphenoxy)-oxophosphanium?
The InChIKey is KEBZJRSUNQKDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5P/c15-9-11-5-1-3-7-13(11)18-20(17)19-14-8-4-2-6-12(14)10-16/h1-10H/q+1.
What are the key properties of bis(2-formylphenoxy)-oxophosphanium?
bis(2-formylphenoxy)-oxophosphanium has a molecular weight of 289.20 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-formylphenoxy)-oxophosphanium is sourced from PubChem (CID 87515933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).