2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid

C10H9Cl3O3 — CID 175150595

IUPAC2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid
SMILESCOCCc1c(Cl)cc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C10H9Cl3O3/c1-16-3-2-5-6(11)4-7(12)8(9(5)13)10(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyMSYRWPXUUSLVQD-UHFFFAOYSA-N
MW283.54 g/mol
LogP3.53
Rot. Bonds4

About 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid

2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid (PubChem CID 175150595) has the molecular formula C10H9Cl3O3 and a molecular weight of 283.54 g/mol. Its IUPAC name is 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid.

Molecular Properties

Compound Name2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid
PubChem CID175150595
Molecular FormulaC10H9Cl3O3
Molecular Weight283.54 g/mol
Exact Mass281.96
IUPAC Name2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid
SMILESCOCCc1c(Cl)cc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C10H9Cl3O3/c1-16-3-2-5-6(11)4-7(12)8(9(5)13)10(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyMSYRWPXUUSLVQD-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid?
The IUPAC name of 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid (CID 175150595) is 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid.
What is the SMILES notation for 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid?
The canonical SMILES for 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid is COCCc1c(Cl)cc(Cl)c(C(=O)O)c1Cl.
What is the InChIKey of 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid?
The InChIKey is MSYRWPXUUSLVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O3/c1-16-3-2-5-6(11)4-7(12)8(9(5)13)10(14)15/h4H,2-3H2,1H3,(H,14,15).
What are the key properties of 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid?
2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid has a molecular weight of 283.54 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-3-(2-methoxyethyl)benzoic acid is sourced from PubChem (CID 175150595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).