methyl 2,6-dichloro-4-hydroxybenzoate

C8H6Cl2O3 — CID 54432677

IUPACmethyl 2,6-dichloro-4-hydroxybenzoate
SMILESCOC(=O)c1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C8H6Cl2O3/c1-13-8(12)7-5(9)2-4(11)3-6(7)10/h2-3,11H,1H3
InChIKeyWIPJAIOYPDTJOY-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.49
Rot. Bonds1

About methyl 2,6-dichloro-4-hydroxybenzoate

methyl 2,6-dichloro-4-hydroxybenzoate (PubChem CID 54432677) has the molecular formula C8H6Cl2O3 and a molecular weight of 221.04 g/mol. Its IUPAC name is methyl 2,6-dichloro-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2,6-dichloro-4-hydroxybenzoate
PubChem CID54432677
Molecular FormulaC8H6Cl2O3
Molecular Weight221.04 g/mol
Exact Mass219.97
IUPAC Namemethyl 2,6-dichloro-4-hydroxybenzoate
SMILESCOC(=O)c1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C8H6Cl2O3/c1-13-8(12)7-5(9)2-4(11)3-6(7)10/h2-3,11H,1H3
InChIKeyWIPJAIOYPDTJOY-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dichloro-4-hydroxybenzoate?
The IUPAC name of methyl 2,6-dichloro-4-hydroxybenzoate (CID 54432677) is methyl 2,6-dichloro-4-hydroxybenzoate.
What is the SMILES notation for methyl 2,6-dichloro-4-hydroxybenzoate?
The canonical SMILES for methyl 2,6-dichloro-4-hydroxybenzoate is COC(=O)c1c(Cl)cc(O)cc1Cl.
What is the InChIKey of methyl 2,6-dichloro-4-hydroxybenzoate?
The InChIKey is WIPJAIOYPDTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3/c1-13-8(12)7-5(9)2-4(11)3-6(7)10/h2-3,11H,1H3.
What are the key properties of methyl 2,6-dichloro-4-hydroxybenzoate?
methyl 2,6-dichloro-4-hydroxybenzoate has a molecular weight of 221.04 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dichloro-4-hydroxybenzoate is sourced from PubChem (CID 54432677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).