2-chloro-6-(ethoxymethoxy)benzoic acid

C10H11ClO4 — CID 114320348

IUPAC2-chloro-6-(ethoxymethoxy)benzoic acid
SMILESCCOCOc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C10H11ClO4/c1-2-14-6-15-8-5-3-4-7(11)9(8)10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyGULABWYCOCGBMI-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.41
Rot. Bonds5

About 2-chloro-6-(ethoxymethoxy)benzoic acid

2-chloro-6-(ethoxymethoxy)benzoic acid (PubChem CID 114320348) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-chloro-6-(ethoxymethoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(ethoxymethoxy)benzoic acid
PubChem CID114320348
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name2-chloro-6-(ethoxymethoxy)benzoic acid
SMILESCCOCOc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C10H11ClO4/c1-2-14-6-15-8-5-3-4-7(11)9(8)10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyGULABWYCOCGBMI-UHFFFAOYSA-N
XLogP2.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2-phenoxyethoxy)benzoic acid
CID 28604962
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
2-chloro-6-(2-ethylsulfonylethoxy)benzoic acid
CID 113276812
2-chloro-6-[4-(dimethylamino)-4-oxobutoxy]benzoic acid
CID 113276802
2-chloro-6-(6-ethoxy-6-oxohexoxy)benzoic acid
CID 114320250
2-chloro-6-propan-2-yloxybenzoic acid
CID 28604889
methyl 2-chloro-6-(methoxymethoxy)benzoate
CID 139356689
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
2-chloro-6-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 113276840
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-(4-butan-2-ylphenoxy)-6-chlorobenzoic acid
CID 107665757
2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid
CID 78975129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethoxymethoxy)benzoic acid?
The IUPAC name of 2-chloro-6-(ethoxymethoxy)benzoic acid (CID 114320348) is 2-chloro-6-(ethoxymethoxy)benzoic acid.
What is the SMILES notation for 2-chloro-6-(ethoxymethoxy)benzoic acid?
The canonical SMILES for 2-chloro-6-(ethoxymethoxy)benzoic acid is CCOCOc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-(ethoxymethoxy)benzoic acid?
The InChIKey is GULABWYCOCGBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-2-14-6-15-8-5-3-4-7(11)9(8)10(12)13/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-chloro-6-(ethoxymethoxy)benzoic acid?
2-chloro-6-(ethoxymethoxy)benzoic acid has a molecular weight of 230.65 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethoxymethoxy)benzoic acid is sourced from PubChem (CID 114320348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).