[(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid

C9H11O5P — CID 512083

IUPAC[(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid
SMILESCc1cccc(C)c1OP(=O)(O)C(=O)O
InChIInChI=1S/C9H11O5P/c1-6-4-3-5-7(2)8(6)14-15(12,13)9(10)11/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyUDMAMOSHMFXDDK-UHFFFAOYSA-N
MW230.16 g/mol
LogP2.55
Rot. Bonds3

About [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid

[(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid (PubChem CID 512083) has the molecular formula C9H11O5P and a molecular weight of 230.16 g/mol. Its IUPAC name is [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid.

Molecular Properties

Compound Name[(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid
PubChem CID512083
Molecular FormulaC9H11O5P
Molecular Weight230.16 g/mol
Exact Mass230.03
IUPAC Name[(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid
SMILESCc1cccc(C)c1OP(=O)(O)C(=O)O
InChIInChI=1S/C9H11O5P/c1-6-4-3-5-7(2)8(6)14-15(12,13)9(10)11/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyUDMAMOSHMFXDDK-UHFFFAOYSA-N
XLogP2.55
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid?
The IUPAC name of [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid (CID 512083) is [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid.
What is the SMILES notation for [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid?
The canonical SMILES for [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid is Cc1cccc(C)c1OP(=O)(O)C(=O)O.
What is the InChIKey of [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid?
The InChIKey is UDMAMOSHMFXDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O5P/c1-6-4-3-5-7(2)8(6)14-15(12,13)9(10)11/h3-5H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid?
[(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid has a molecular weight of 230.16 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethylphenoxy)-hydroxyphosphoryl]formic acid is sourced from PubChem (CID 512083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).