2-(2,3-dichlorophenoxy)acetic acid;ethanol

C10H12Cl2O4 — CID 174851678

IUPAC2-(2,3-dichlorophenoxy)acetic acid;ethanol
SMILESCCO.O=C(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2O3.C2H6O/c9-5-2-1-3-6(8(5)10)13-4-7(11)12;1-2-3/h1-3H,4H2,(H,11,12);3H,2H2,1H3
InChIKeyAJQCTKYNJWLJOB-UHFFFAOYSA-N
MW267.11 g/mol
LogP2.46
Rot. Bonds3

About 2-(2,3-dichlorophenoxy)acetic acid;ethanol

2-(2,3-dichlorophenoxy)acetic acid;ethanol (PubChem CID 174851678) has the molecular formula C10H12Cl2O4 and a molecular weight of 267.11 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)acetic acid;ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)acetic acid;ethanol
PubChem CID174851678
Molecular FormulaC10H12Cl2O4
Molecular Weight267.11 g/mol
Exact Mass266.01
IUPAC Name2-(2,3-dichlorophenoxy)acetic acid;ethanol
SMILESCCO.O=C(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2O3.C2H6O/c9-5-2-1-3-6(8(5)10)13-4-7(11)12;1-2-3/h1-3H,4H2,(H,11,12);3H,2H2,1H3
InChIKeyAJQCTKYNJWLJOB-UHFFFAOYSA-N
XLogP2.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dichlorophenoxy)acetic acid;ethanol 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

1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9286556
2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid
CID 94694082
4-(2,3-dichlorophenoxy)-3-(dimethylamino)butanoic acid
CID 112547485
2-(2,3-dichlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 7372395
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide
CID 8604340
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
2-(2,3-dichlorophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7787801

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)acetic acid;ethanol?
The IUPAC name of 2-(2,3-dichlorophenoxy)acetic acid;ethanol (CID 174851678) is 2-(2,3-dichlorophenoxy)acetic acid;ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)acetic acid;ethanol?
The canonical SMILES for 2-(2,3-dichlorophenoxy)acetic acid;ethanol is CCO.O=C(O)COc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)acetic acid;ethanol?
The InChIKey is AJQCTKYNJWLJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C2H6O/c9-5-2-1-3-6(8(5)10)13-4-7(11)12;1-2-3/h1-3H,4H2,(H,11,12);3H,2H2,1H3.
What are the key properties of 2-(2,3-dichlorophenoxy)acetic acid;ethanol?
2-(2,3-dichlorophenoxy)acetic acid;ethanol has a molecular weight of 267.11 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)acetic acid;ethanol is sourced from PubChem (CID 174851678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).