2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid

C10H8Cl2O5 — CID 2257873

IUPAC2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCC(=O)O
InChIInChI=1S/C10H8Cl2O5/c1-16-9-6(12)3-2-5(11)8(9)10(15)17-4-7(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyWRVBUUCSPHUBTJ-UHFFFAOYSA-N
MW279.07 g/mol
LogP2.24
Rot. Bonds4

About 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid

2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid (PubChem CID 2257873) has the molecular formula C10H8Cl2O5 and a molecular weight of 279.07 g/mol. Its IUPAC name is 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid.

Molecular Properties

Compound Name2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid
PubChem CID2257873
Molecular FormulaC10H8Cl2O5
Molecular Weight279.07 g/mol
Exact Mass277.97
IUPAC Name2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCC(=O)O
InChIInChI=1S/C10H8Cl2O5/c1-16-9-6(12)3-2-5(11)8(9)10(15)17-4-7(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyWRVBUUCSPHUBTJ-UHFFFAOYSA-N
XLogP2.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.07
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid?
The IUPAC name of 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid (CID 2257873) is 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid.
What is the SMILES notation for 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid?
The canonical SMILES for 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid is COc1c(Cl)ccc(Cl)c1C(=O)OCC(=O)O.
What is the InChIKey of 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid?
The InChIKey is WRVBUUCSPHUBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O5/c1-16-9-6(12)3-2-5(11)8(9)10(15)17-4-7(13)14/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid?
2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid has a molecular weight of 279.07 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dichloro-2-methoxybenzoyl)oxyacetic acid is sourced from PubChem (CID 2257873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).