ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid

C11H17O5P — CID 87175635

IUPACethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1cccc(OCCO)c1
InChIInChI=1S/C11H17O5P/c1-2-16-17(13,14)9-10-4-3-5-11(8-10)15-7-6-12/h3-5,8,12H,2,6-7,9H2,1H3,(H,13,14)
InChIKeyWOZJBTFQYATSJA-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.78
Rot. Bonds7

About ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid

ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid (PubChem CID 87175635) has the molecular formula C11H17O5P and a molecular weight of 260.23 g/mol. Its IUPAC name is ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
PubChem CID87175635
Molecular FormulaC11H17O5P
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Nameethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1cccc(OCCO)c1
InChIInChI=1S/C11H17O5P/c1-2-16-17(13,14)9-10-4-3-5-11(8-10)15-7-6-12/h3-5,8,12H,2,6-7,9H2,1H3,(H,13,14)
InChIKeyWOZJBTFQYATSJA-UHFFFAOYSA-N
XLogP1.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid
CID 87175744
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid
CID 87885688
methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
2-(3-octoxyphenyl)ethanol
CID 141227544
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
CID 167192366
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382

Frequently Asked Questions

What is the IUPAC name of ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid?
The IUPAC name of ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid (CID 87175635) is ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid?
The canonical SMILES for ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid is CCOP(=O)(O)Cc1cccc(OCCO)c1.
What is the InChIKey of ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid?
The InChIKey is WOZJBTFQYATSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O5P/c1-2-16-17(13,14)9-10-4-3-5-11(8-10)15-7-6-12/h3-5,8,12H,2,6-7,9H2,1H3,(H,13,14).
What are the key properties of ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid?
ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid has a molecular weight of 260.23 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid is sourced from PubChem (CID 87175635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).