2-(4-phosphanylphenoxy)acetic acid

C8H9O3P — CID 143227716

IUPAC2-(4-phosphanylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(P)cc1
InChIInChI=1S/C8H9O3P/c9-8(10)5-11-6-1-3-7(12)4-2-6/h1-4H,5,12H2,(H,9,10)
InChIKeyLUFOFHFRMIBIIO-UHFFFAOYSA-N
MW184.13 g/mol
LogP0.65
Rot. Bonds3

About 2-(4-phosphanylphenoxy)acetic acid

2-(4-phosphanylphenoxy)acetic acid (PubChem CID 143227716) has the molecular formula C8H9O3P and a molecular weight of 184.13 g/mol. Its IUPAC name is 2-(4-phosphanylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-phosphanylphenoxy)acetic acid
PubChem CID143227716
Molecular FormulaC8H9O3P
Molecular Weight184.13 g/mol
Exact Mass184.03
IUPAC Name2-(4-phosphanylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(P)cc1
InChIInChI=1S/C8H9O3P/c9-8(10)5-11-6-1-3-7(12)4-2-6/h1-4H,5,12H2,(H,9,10)
InChIKeyLUFOFHFRMIBIIO-UHFFFAOYSA-N
XLogP0.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(phosphanylmethyl)phenoxy]acetic acid
CID 144578050
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-phenoxyacetic acid;titanium
CID 174896747
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
naphthalene;2-phenoxyacetic acid
CID 175275275
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
chloromethane;2-phenoxyacetic acid
CID 157255542
(E)-3-[4-(carboxymethoxy)phenyl]-2-methylprop-2-enoic acid
CID 170872967
2-[4-(2-aminoacetyl)phenoxy]acetic acid
CID 14536945
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726

Frequently Asked Questions

What is the IUPAC name of 2-(4-phosphanylphenoxy)acetic acid?
The IUPAC name of 2-(4-phosphanylphenoxy)acetic acid (CID 143227716) is 2-(4-phosphanylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-phosphanylphenoxy)acetic acid?
The canonical SMILES for 2-(4-phosphanylphenoxy)acetic acid is O=C(O)COc1ccc(P)cc1.
What is the InChIKey of 2-(4-phosphanylphenoxy)acetic acid?
The InChIKey is LUFOFHFRMIBIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3P/c9-8(10)5-11-6-1-3-7(12)4-2-6/h1-4H,5,12H2,(H,9,10).
What are the key properties of 2-(4-phosphanylphenoxy)acetic acid?
2-(4-phosphanylphenoxy)acetic acid has a molecular weight of 184.13 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phosphanylphenoxy)acetic acid is sourced from PubChem (CID 143227716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).