(4-ethoxyphenyl)phosphonic acid

C8H11O4P — CID 2779466

IUPAC(4-ethoxyphenyl)phosphonic acid
SMILESCCOc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C8H11O4P/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKeyORUZLAKPEKBACC-UHFFFAOYSA-N
MW202.15 g/mol
LogP0.89
Rot. Bonds3

About (4-ethoxyphenyl)phosphonic acid

(4-ethoxyphenyl)phosphonic acid (PubChem CID 2779466) has the molecular formula C8H11O4P and a molecular weight of 202.15 g/mol. Its IUPAC name is (4-ethoxyphenyl)phosphonic acid.

Molecular Properties

Compound Name(4-ethoxyphenyl)phosphonic acid
PubChem CID2779466
Molecular FormulaC8H11O4P
Molecular Weight202.15 g/mol
Exact Mass202.04
IUPAC Name(4-ethoxyphenyl)phosphonic acid
SMILESCCOc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C8H11O4P/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKeyORUZLAKPEKBACC-UHFFFAOYSA-N
XLogP0.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl)-oxosulfanium
CID 174263309
4-(4-ethoxyphenoxy)butanoate
CID 2392386
4-ethoxybenzenesulfonic acid
CID 7013020
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
N-ethoxy-2-(4-ethoxyphenoxy)acetamide
CID 60700690
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
4-ethoxyphenol isocyanate
CID 20557311
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
2-chloroacetic acid;ethoxybenzene
CID 174963019
S-(4-ethoxyphenyl)thiohydroxylamine
CID 117033765
bis(4-ethoxyphenyl)phosphinous acid
CID 138526772

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)phosphonic acid?
The IUPAC name of (4-ethoxyphenyl)phosphonic acid (CID 2779466) is (4-ethoxyphenyl)phosphonic acid.
What is the SMILES notation for (4-ethoxyphenyl)phosphonic acid?
The canonical SMILES for (4-ethoxyphenyl)phosphonic acid is CCOc1ccc(P(=O)(O)O)cc1.
What is the InChIKey of (4-ethoxyphenyl)phosphonic acid?
The InChIKey is ORUZLAKPEKBACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4P/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11).
What are the key properties of (4-ethoxyphenyl)phosphonic acid?
(4-ethoxyphenyl)phosphonic acid has a molecular weight of 202.15 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)phosphonic acid is sourced from PubChem (CID 2779466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).