2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid

C11H10Cl2O4 — CID 79167882

IUPAC2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
SMILESCOc1ccc(OCC(Cl)=CCl)c(C(=O)O)c1
InChIInChI=1S/C11H10Cl2O4/c1-16-8-2-3-10(9(4-8)11(14)15)17-6-7(13)5-12/h2-5H,6H2,1H3,(H,14,15)
InChIKeyXHAPPXSMDNQYBF-UHFFFAOYSA-N
MW277.10 g/mol
LogP3.09
Rot. Bonds5

About 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid

2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid (PubChem CID 79167882) has the molecular formula C11H10Cl2O4 and a molecular weight of 277.10 g/mol. Its IUPAC name is 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
PubChem CID79167882
Molecular FormulaC11H10Cl2O4
Molecular Weight277.10 g/mol
Exact Mass276.00
IUPAC Name2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
SMILESCOc1ccc(OCC(Cl)=CCl)c(C(=O)O)c1
InChIInChI=1S/C11H10Cl2O4/c1-16-8-2-3-10(9(4-8)11(14)15)17-6-7(13)5-12/h2-5H,6H2,1H3,(H,14,15)
InChIKeyXHAPPXSMDNQYBF-UHFFFAOYSA-N
XLogP3.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic 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

5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid
CID 107729528
5-methoxy-2-(2-methylidenebutoxy)benzoic acid
CID 66047074
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177
5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45304182
2-(3-hydroxypropoxy)-5-methoxybenzoic acid
CID 60693366
5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid
CID 79624210
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 45419477
5-methoxy-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 63899578
5-methoxy-2-(3-methylbut-3-enoxy)benzoic acid
CID 114471317

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid?
The IUPAC name of 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid (CID 79167882) is 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid?
The canonical SMILES for 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid is COc1ccc(OCC(Cl)=CCl)c(C(=O)O)c1.
What is the InChIKey of 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid?
The InChIKey is XHAPPXSMDNQYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O4/c1-16-8-2-3-10(9(4-8)11(14)15)17-6-7(13)5-12/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid?
2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid has a molecular weight of 277.10 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid is sourced from PubChem (CID 79167882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).