5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid

C10H11ClO4 — CID 83894548

IUPAC5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid
SMILESCOCc1cc(Cl)cc(C(=O)O)c1OC
InChIInChI=1S/C10H11ClO4/c1-14-5-6-3-7(11)4-8(10(12)13)9(6)15-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyVLWVQRAMARFLDI-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.19
Rot. Bonds4

About 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid

5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid (PubChem CID 83894548) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid
PubChem CID83894548
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid
SMILESCOCc1cc(Cl)cc(C(=O)O)c1OC
InChIInChI=1S/C10H11ClO4/c1-14-5-6-3-7(11)4-8(10(12)13)9(6)15-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyVLWVQRAMARFLDI-UHFFFAOYSA-N
XLogP2.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-methoxy-3-(methoxymethyl)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

5-chloro-3-[[chloro(2-methoxyethyl)amino]methyl]-2-methoxybenzoic acid
CID 171074177
5-chloro-3-(dimethylamino)-2-methoxybenzoic acid
CID 10728138
5-chloro-2-methoxy-3-(2-morpholin-4-ylethyl)benzoic acid;ethane
CID 171074585
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647
3-[bis(2-methoxyethyl)carbamoyl]-5-chloro-2-methoxybenzoic acid
CID 171074357
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
5-chloro-2-methoxy-3-nitrobenzoic acid
CID 43449069
5-chloro-3-methoxy-2-pentan-3-yloxybenzoic acid
CID 104665804
5-iodo-2-methoxy-3-(2-methoxyethoxymethyl)benzoic acid
CID 171074307
5-chloro-2-methoxy-3-(2-methylsulfonylethylsulfonyl)benzoic acid
CID 60916346
3-amino-5-chloro-2,4-dimethoxybenzoic acid
CID 84695063
4-amino-5-chloro-2-(methoxymethyl)benzoic acid
CID 154204229

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid (CID 83894548) is 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid is COCc1cc(Cl)cc(C(=O)O)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid?
The InChIKey is VLWVQRAMARFLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-14-5-6-3-7(11)4-8(10(12)13)9(6)15-2/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid?
5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid has a molecular weight of 230.65 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid is sourced from PubChem (CID 83894548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).