3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid

C13H8Cl2O3 — CID 11243048

IUPAC3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1cccc(-c2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O3/c14-10-5-9(6-11(15)12(10)16)7-2-1-3-8(4-7)13(17)18/h1-6,16H,(H,17,18)
InChIKeyOPIFHTLBHXJXDX-UHFFFAOYSA-N
MW283.11 g/mol
LogP4.06
Rot. Bonds2

About 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid

3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid (PubChem CID 11243048) has the molecular formula C13H8Cl2O3 and a molecular weight of 283.11 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid
PubChem CID11243048
Molecular FormulaC13H8Cl2O3
Molecular Weight283.11 g/mol
Exact Mass281.99
IUPAC Name3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1cccc(-c2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O3/c14-10-5-9(6-11(15)12(10)16)7-2-1-3-8(4-7)13(17)18/h1-6,16H,(H,17,18)
InChIKeyOPIFHTLBHXJXDX-UHFFFAOYSA-N
XLogP4.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid?
The IUPAC name of 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid (CID 11243048) is 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid?
The canonical SMILES for 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid is O=C(O)c1cccc(-c2cc(Cl)c(O)c(Cl)c2)c1.
What is the InChIKey of 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid?
The InChIKey is OPIFHTLBHXJXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3/c14-10-5-9(6-11(15)12(10)16)7-2-1-3-8(4-7)13(17)18/h1-6,16H,(H,17,18).
What are the key properties of 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid?
3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid has a molecular weight of 283.11 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 11243048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).