2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate

C10H12O7 — CID 121199307

IUPAC2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
SMILESO.O=C(O)COc1ccccc1OCC(=O)O
InChIInChI=1S/C10H10O6.H2O/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14;/h1-4H,5-6H2,(H,11,12)(H,13,14);1H2
InChIKeyULRUKMVEXYLSOL-UHFFFAOYSA-N
MW244.20 g/mol
LogP-0.21
Rot. Bonds6

About 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate

2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate (PubChem CID 121199307) has the molecular formula C10H12O7 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate.

Molecular Properties

Compound Name2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
PubChem CID121199307
Molecular FormulaC10H12O7
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
SMILESO.O=C(O)COc1ccccc1OCC(=O)O
InChIInChI=1S/C10H10O6.H2O/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14;/h1-4H,5-6H2,(H,11,12)(H,13,14);1H2
InChIKeyULRUKMVEXYLSOL-UHFFFAOYSA-N
XLogP-0.21
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate 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

CID 131854846
CID 131854846
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
2-[2-(2-hydroxyacetyl)phenoxy]acetic acid
CID 23600039
2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500
2-phenoxyacetic acid;titanium
CID 174896747
2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139
2-[2-(methylcarbamoyl)phenoxy]acetic acid
CID 3026256
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
2-[2-(anilinomethyl)phenoxy]acetic acid
CID 126116290

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate?
The IUPAC name of 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate (CID 121199307) is 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate.
What is the SMILES notation for 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate?
The canonical SMILES for 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate is O.O=C(O)COc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate?
The InChIKey is ULRUKMVEXYLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6.H2O/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14;/h1-4H,5-6H2,(H,11,12)(H,13,14);1H2.
What are the key properties of 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate?
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate has a molecular weight of 244.20 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate is sourced from PubChem (CID 121199307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).