3,6-dichloro-2-hydroxybenzoic acid

C14H8Cl4O6 — CID 162211371

IUPAC3,6-dichloro-2-hydroxybenzoic acid
SMILESO=C(O)c1c(Cl)ccc(Cl)c1O.O=C(O)c1c(Cl)ccc(Cl)c1O
InChIInChI=1S/2C7H4Cl2O3/c2*8-3-1-2-4(9)6(10)5(3)7(11)12/h2*1-2,10H,(H,11,12)
InChIKeyZSWSCTBTQXRRCO-UHFFFAOYSA-N
MW414.02 g/mol
LogP4.79
Rot. Bonds2

About 3,6-dichloro-2-hydroxybenzoic acid

3,6-dichloro-2-hydroxybenzoic acid (PubChem CID 162211371) has the molecular formula C14H8Cl4O6 and a molecular weight of 414.02 g/mol. Its IUPAC name is 3,6-dichloro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3,6-dichloro-2-hydroxybenzoic acid
PubChem CID162211371
Molecular FormulaC14H8Cl4O6
Molecular Weight414.02 g/mol
Exact Mass411.91
IUPAC Name3,6-dichloro-2-hydroxybenzoic acid
SMILESO=C(O)c1c(Cl)ccc(Cl)c1O.O=C(O)c1c(Cl)ccc(Cl)c1O
InChIInChI=1S/2C7H4Cl2O3/c2*8-3-1-2-4(9)6(10)5(3)7(11)12/h2*1-2,10H,(H,11,12)
InChIKeyZSWSCTBTQXRRCO-UHFFFAOYSA-N
XLogP4.79
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.02
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11251659
CID 11251659
potassium 2-carboxy-3,6-dichlorobenzoate
CID 118064263
(3,6-dichloro-2-hydroxybenzoyl) 3,6-dichloro-2-hydroxybenzoate
CID 174951975
2-amino-6-chloro-3-hydroxybenzoic acid
CID 71381631
fluoro 3,6-dichloro-2-hydroxybenzoate
CID 144820158
3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid
CID 151242683
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
2-azido-6-chloro-3-fluorobenzoic acid
CID 169325799
1-(3-chloro-2-hydroxy-6-iodophenyl)ethanone
CID 171008221
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-hydroxybenzoic acid?
The IUPAC name of 3,6-dichloro-2-hydroxybenzoic acid (CID 162211371) is 3,6-dichloro-2-hydroxybenzoic acid.
What is the SMILES notation for 3,6-dichloro-2-hydroxybenzoic acid?
The canonical SMILES for 3,6-dichloro-2-hydroxybenzoic acid is O=C(O)c1c(Cl)ccc(Cl)c1O.O=C(O)c1c(Cl)ccc(Cl)c1O.
What is the InChIKey of 3,6-dichloro-2-hydroxybenzoic acid?
The InChIKey is ZSWSCTBTQXRRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H4Cl2O3/c2*8-3-1-2-4(9)6(10)5(3)7(11)12/h2*1-2,10H,(H,11,12).
What are the key properties of 3,6-dichloro-2-hydroxybenzoic acid?
3,6-dichloro-2-hydroxybenzoic acid has a molecular weight of 414.02 g/mol, XLogP of 4.79, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-hydroxybenzoic acid is sourced from PubChem (CID 162211371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).