6-chloro-2-hydroxy-3-phenylbenzoic acid

C13H9ClO3 — CID 70789859

IUPAC6-chloro-2-hydroxy-3-phenylbenzoic acid
SMILESO=C(O)c1c(Cl)ccc(-c2ccccc2)c1O
InChIInChI=1S/C13H9ClO3/c14-10-7-6-9(8-4-2-1-3-5-8)12(15)11(10)13(16)17/h1-7,15H,(H,16,17)
InChIKeyZOWOZDFLKPIGSR-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.41
Rot. Bonds2

About 6-chloro-2-hydroxy-3-phenylbenzoic acid

6-chloro-2-hydroxy-3-phenylbenzoic acid (PubChem CID 70789859) has the molecular formula C13H9ClO3 and a molecular weight of 248.67 g/mol. Its IUPAC name is 6-chloro-2-hydroxy-3-phenylbenzoic acid.

Molecular Properties

Compound Name6-chloro-2-hydroxy-3-phenylbenzoic acid
PubChem CID70789859
Molecular FormulaC13H9ClO3
Molecular Weight248.67 g/mol
Exact Mass248.02
IUPAC Name6-chloro-2-hydroxy-3-phenylbenzoic acid
SMILESO=C(O)c1c(Cl)ccc(-c2ccccc2)c1O
InChIInChI=1S/C13H9ClO3/c14-10-7-6-9(8-4-2-1-3-5-8)12(15)11(10)13(16)17/h1-7,15H,(H,16,17)
InChIKeyZOWOZDFLKPIGSR-UHFFFAOYSA-N
XLogP3.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hydroxy-3-phenylbenzoic acid?
The IUPAC name of 6-chloro-2-hydroxy-3-phenylbenzoic acid (CID 70789859) is 6-chloro-2-hydroxy-3-phenylbenzoic acid.
What is the SMILES notation for 6-chloro-2-hydroxy-3-phenylbenzoic acid?
The canonical SMILES for 6-chloro-2-hydroxy-3-phenylbenzoic acid is O=C(O)c1c(Cl)ccc(-c2ccccc2)c1O.
What is the InChIKey of 6-chloro-2-hydroxy-3-phenylbenzoic acid?
The InChIKey is ZOWOZDFLKPIGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO3/c14-10-7-6-9(8-4-2-1-3-5-8)12(15)11(10)13(16)17/h1-7,15H,(H,16,17).
What are the key properties of 6-chloro-2-hydroxy-3-phenylbenzoic acid?
6-chloro-2-hydroxy-3-phenylbenzoic acid has a molecular weight of 248.67 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hydroxy-3-phenylbenzoic acid is sourced from PubChem (CID 70789859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).