2,2-dichloro-2-(hydroxymethoxy)acetic acid

C3H4Cl2O4 — CID 166878279

IUPAC2,2-dichloro-2-(hydroxymethoxy)acetic acid
SMILESO=C(O)C(Cl)(Cl)OCO
InChIInChI=1S/C3H4Cl2O4/c4-3(5,2(7)8)9-1-6/h6H,1H2,(H,7,8)
InChIKeyVXWSFDPUYOANQT-UHFFFAOYSA-N
MW174.97 g/mol
LogP0.17
Rot. Bonds3

About 2,2-dichloro-2-(hydroxymethoxy)acetic acid

2,2-dichloro-2-(hydroxymethoxy)acetic acid (PubChem CID 166878279) has the molecular formula C3H4Cl2O4 and a molecular weight of 174.97 g/mol. Its IUPAC name is 2,2-dichloro-2-(hydroxymethoxy)acetic acid.

Molecular Properties

Compound Name2,2-dichloro-2-(hydroxymethoxy)acetic acid
PubChem CID166878279
Molecular FormulaC3H4Cl2O4
Molecular Weight174.97 g/mol
Exact Mass173.95
IUPAC Name2,2-dichloro-2-(hydroxymethoxy)acetic acid
SMILESO=C(O)C(Cl)(Cl)OCO
InChIInChI=1S/C3H4Cl2O4/c4-3(5,2(7)8)9-1-6/h6H,1H2,(H,7,8)
InChIKeyVXWSFDPUYOANQT-UHFFFAOYSA-N
XLogP0.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.97
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-2-ethoxyacetic acid
CID 87516880
2-[3-[carboxy(dichloro)methoxy]-2-hydroxypropoxy]-2,2-dichloroacetic acid
CID 87399658
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
dilithium;hydride;2,2,2-trichloroacetic acid
CID 175045504
2-chloro-4-hydroxy-2-methylbutanoic acid
CID 54026852
2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid
CID 173346689
prop-2-enoic acid;2,2,2-trichloroacetic acid
CID 3054261
2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol
CID 140570889
CID 87918969
CID 87918969
2,2-dichloro-2-fluoroacetic acid;silver
CID 88843250
2,2,2-tris(hydroxymethoxy)ethanol
CID 102144290
sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride
CID 173100482

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-2-(hydroxymethoxy)acetic acid?
The IUPAC name of 2,2-dichloro-2-(hydroxymethoxy)acetic acid (CID 166878279) is 2,2-dichloro-2-(hydroxymethoxy)acetic acid.
What is the SMILES notation for 2,2-dichloro-2-(hydroxymethoxy)acetic acid?
The canonical SMILES for 2,2-dichloro-2-(hydroxymethoxy)acetic acid is O=C(O)C(Cl)(Cl)OCO.
What is the InChIKey of 2,2-dichloro-2-(hydroxymethoxy)acetic acid?
The InChIKey is VXWSFDPUYOANQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2O4/c4-3(5,2(7)8)9-1-6/h6H,1H2,(H,7,8).
What are the key properties of 2,2-dichloro-2-(hydroxymethoxy)acetic acid?
2,2-dichloro-2-(hydroxymethoxy)acetic acid has a molecular weight of 174.97 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-2-(hydroxymethoxy)acetic acid is sourced from PubChem (CID 166878279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).