ethane-1,2-diol;2-phenoxyacetic acid

C10H14O5 — CID 86738206

IUPACethane-1,2-diol;2-phenoxyacetic acid
SMILESO=C(O)COc1ccccc1.OCCO
InChIInChI=1S/C8H8O3.C2H6O2/c9-8(10)6-11-7-4-2-1-3-5-7;3-1-2-4/h1-5H,6H2,(H,9,10);3-4H,1-2H2
InChIKeyCZPJIKXQOLBECL-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.12
Rot. Bonds4

About ethane-1,2-diol;2-phenoxyacetic acid

ethane-1,2-diol;2-phenoxyacetic acid (PubChem CID 86738206) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethane-1,2-diol;2-phenoxyacetic acid.

Molecular Properties

Compound Nameethane-1,2-diol;2-phenoxyacetic acid
PubChem CID86738206
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameethane-1,2-diol;2-phenoxyacetic acid
SMILESO=C(O)COc1ccccc1.OCCO
InChIInChI=1S/C8H8O3.C2H6O2/c9-8(10)6-11-7-4-2-1-3-5-7;3-1-2-4/h1-5H,6H2,(H,9,10);3-4H,1-2H2
InChIKeyCZPJIKXQOLBECL-UHFFFAOYSA-N
XLogP0.12
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethane-1,2-diol;2-phenoxyacetic 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

2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
chloromethane;2-phenoxyacetic acid
CID 157255542
naphthalene;2-phenoxyacetic acid
CID 175275275
2-phenoxyacetic acid;piperazine
CID 54610102
2-phenoxyacetic acid;phenyl acetate
CID 160680696
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2-ethylbutanoic acid;2-phenoxyacetic acid
CID 69343570
2-[4-(2-hydroxyphenyl)phenoxy]acetic acid
CID 10776663
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
CID 175172730
2-oxo-3-phenoxypropanoic acid
CID 18994126

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-phenoxyacetic acid?
The IUPAC name of ethane-1,2-diol;2-phenoxyacetic acid (CID 86738206) is ethane-1,2-diol;2-phenoxyacetic acid.
What is the SMILES notation for ethane-1,2-diol;2-phenoxyacetic acid?
The canonical SMILES for ethane-1,2-diol;2-phenoxyacetic acid is O=C(O)COc1ccccc1.OCCO.
What is the InChIKey of ethane-1,2-diol;2-phenoxyacetic acid?
The InChIKey is CZPJIKXQOLBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C2H6O2/c9-8(10)6-11-7-4-2-1-3-5-7;3-1-2-4/h1-5H,6H2,(H,9,10);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-phenoxyacetic acid?
ethane-1,2-diol;2-phenoxyacetic acid has a molecular weight of 214.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-phenoxyacetic acid is sourced from PubChem (CID 86738206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).