2-[4-(phosphanylmethyl)phenoxy]acetic acid

C9H11O3P — CID 144578050

IUPAC2-[4-(phosphanylmethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CP)cc1
InChIInChI=1S/C9H11O3P/c10-9(11)5-12-8-3-1-7(6-13)2-4-8/h1-4H,5-6,13H2,(H,10,11)
InChIKeyYMBVEHYEJIFMTA-UHFFFAOYSA-N
MW198.16 g/mol
LogP1.53
Rot. Bonds4

About 2-[4-(phosphanylmethyl)phenoxy]acetic acid

2-[4-(phosphanylmethyl)phenoxy]acetic acid (PubChem CID 144578050) has the molecular formula C9H11O3P and a molecular weight of 198.16 g/mol. Its IUPAC name is 2-[4-(phosphanylmethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(phosphanylmethyl)phenoxy]acetic acid
PubChem CID144578050
Molecular FormulaC9H11O3P
Molecular Weight198.16 g/mol
Exact Mass198.04
IUPAC Name2-[4-(phosphanylmethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CP)cc1
InChIInChI=1S/C9H11O3P/c10-9(11)5-12-8-3-1-7(6-13)2-4-8/h1-4H,5-6,13H2,(H,10,11)
InChIKeyYMBVEHYEJIFMTA-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 51.53
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-phosphanylphenoxy)acetic acid
CID 143227716
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
CID 170185856
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
(2S)-3-[4-(carboxymethoxy)phenyl]-2-methoxypropanoic acid
CID 141080172
2-phenoxyacetic acid;titanium
CID 174896747
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
CID 170892009
2-[4-(2-ethylbutyl)phenoxy]acetic acid
CID 70838941
magnesium;hydride;2-phenoxyacetic acid
CID 173069745

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phosphanylmethyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(phosphanylmethyl)phenoxy]acetic acid (CID 144578050) is 2-[4-(phosphanylmethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(phosphanylmethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(phosphanylmethyl)phenoxy]acetic acid is O=C(O)COc1ccc(CP)cc1.
What is the InChIKey of 2-[4-(phosphanylmethyl)phenoxy]acetic acid?
The InChIKey is YMBVEHYEJIFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O3P/c10-9(11)5-12-8-3-1-7(6-13)2-4-8/h1-4H,5-6,13H2,(H,10,11).
What are the key properties of 2-[4-(phosphanylmethyl)phenoxy]acetic acid?
2-[4-(phosphanylmethyl)phenoxy]acetic acid has a molecular weight of 198.16 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phosphanylmethyl)phenoxy]acetic acid is sourced from PubChem (CID 144578050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).