3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid

C14H10Cl2O8 — CID 161415346

IUPAC3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)c(Cl)c1O.O=C(O)c1ccc(O)cc1O
InChIInChI=1S/C7H4Cl2O4.C7H6O4/c8-3-1-2(7(12)13)5(10)4(9)6(3)11;8-4-1-2-5(7(10)11)6(9)3-4/h1,10-11H,(H,12,13);1-3,8-9H,(H,10,11)
InChIKeyVVZYAWUUSCSIJA-UHFFFAOYSA-N
MW377.13 g/mol
LogP2.90
Rot. Bonds2

About 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid

3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid (PubChem CID 161415346) has the molecular formula C14H10Cl2O8 and a molecular weight of 377.13 g/mol. Its IUPAC name is 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid
PubChem CID161415346
Molecular FormulaC14H10Cl2O8
Molecular Weight377.13 g/mol
Exact Mass375.98
IUPAC Name3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)c(Cl)c1O.O=C(O)c1ccc(O)cc1O
InChIInChI=1S/C7H4Cl2O4.C7H6O4/c8-3-1-2(7(12)13)5(10)4(9)6(3)11;8-4-1-2-5(7(10)11)6(9)3-4/h1,10-11H,(H,12,13);1-3,8-9H,(H,10,11)
InChIKeyVVZYAWUUSCSIJA-UHFFFAOYSA-N
XLogP2.90
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.13
LogP ≤ 52.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dihydroxybenzoic acid
CID 1491
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077
2,4-dichlorobenzene-1,3-diol;3,5-dichloro-2,4-dihydroxybenzoic acid;N,N-dimethylaniline;methane;methyl 3,5-dichloro-2,4-dihydroxybenzoate;methyl 2,4-dihydroxybenzoate;sulfuryl dichloride
CID 157430389
4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
CID 172866613
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
4-hydroxybenzoic acid;2-hydroxyterephthalic acid
CID 174971569
4-hydroxyphthalic acid;hydrate
CID 171991193
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione
CID 52916523
(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25243927
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid?
The IUPAC name of 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid (CID 161415346) is 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid.
What is the SMILES notation for 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid?
The canonical SMILES for 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid is O=C(O)c1cc(Cl)c(O)c(Cl)c1O.O=C(O)c1ccc(O)cc1O.
What is the InChIKey of 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid?
The InChIKey is VVZYAWUUSCSIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O4.C7H6O4/c8-3-1-2(7(12)13)5(10)4(9)6(3)11;8-4-1-2-5(7(10)11)6(9)3-4/h1,10-11H,(H,12,13);1-3,8-9H,(H,10,11).
What are the key properties of 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid?
3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid has a molecular weight of 377.13 g/mol, XLogP of 2.90, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid is sourced from PubChem (CID 161415346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).