3,5-dichloro-4-hydroxybenzoic acid

C7H4Cl2O3 — CID 18749

IUPAC3,5-dichloro-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKeyAULKDLUOQCUNOK-UHFFFAOYSA-N
MW207.01 g/mol
LogP2.40
Rot. Bonds1

About 3,5-dichloro-4-hydroxybenzoic acid

3,5-dichloro-4-hydroxybenzoic acid (PubChem CID 18749) has the molecular formula C7H4Cl2O3 and a molecular weight of 207.01 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxybenzoic acid
PubChem CID18749
Molecular FormulaC7H4Cl2O3
Molecular Weight207.01 g/mol
Exact Mass205.95
IUPAC Name3,5-dichloro-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKeyAULKDLUOQCUNOK-UHFFFAOYSA-N
XLogP2.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.01
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hydroxybenzoic acid?
The IUPAC name of 3,5-dichloro-4-hydroxybenzoic acid (CID 18749) is 3,5-dichloro-4-hydroxybenzoic acid.
What is the SMILES notation for 3,5-dichloro-4-hydroxybenzoic acid?
The canonical SMILES for 3,5-dichloro-4-hydroxybenzoic acid is O=C(O)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-hydroxybenzoic acid?
The InChIKey is AULKDLUOQCUNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12).
What are the key properties of 3,5-dichloro-4-hydroxybenzoic acid?
3,5-dichloro-4-hydroxybenzoic acid has a molecular weight of 207.01 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxybenzoic acid is sourced from PubChem (CID 18749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).