3,5-dichloro-2-(2-methoxyethoxy)benzoic acid

C10H10Cl2O4 — CID 43516035

IUPAC3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-15-2-3-16-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyQLEJMVVSJQVZFL-UHFFFAOYSA-N
MW265.09 g/mol
LogP2.72
Rot. Bonds5

About 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid

3,5-dichloro-2-(2-methoxyethoxy)benzoic acid (PubChem CID 43516035) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
PubChem CID43516035
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Name3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-15-2-3-16-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyQLEJMVVSJQVZFL-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-2-(2-methoxyethoxy)benzoic 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

3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552928
3-chloro-2-(2-methoxyethoxy)-5-nitrobenzoic acid
CID 107186692
3,5-dichloro-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43516100
3,5-dichloro-2-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid
CID 43516070
1-(3,5-dichloro-2-propoxyphenyl)ethanone
CID 82267096
3,5-dichloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 43516130
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
CID 65457585
3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
CID 63529202
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647
3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43516111

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid?
The IUPAC name of 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid (CID 43516035) is 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid?
The canonical SMILES for 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid is COCCOc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid?
The InChIKey is QLEJMVVSJQVZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-15-2-3-16-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid?
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid has a molecular weight of 265.09 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2-methoxyethoxy)benzoic acid is sourced from PubChem (CID 43516035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).