4-chloro-2-hydroxy-5-phenylbenzoic acid

C13H9ClO3 — CID 90672085

IUPAC4-chloro-2-hydroxy-5-phenylbenzoic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(Cl)cc1O
InChIInChI=1S/C13H9ClO3/c14-11-7-12(15)10(13(16)17)6-9(11)8-4-2-1-3-5-8/h1-7,15H,(H,16,17)
InChIKeyJRBFDNUELHRTTO-UHFFFAOYSA-N
MW248.66 g/mol
LogP3.41
Rot. Bonds2

About 4-chloro-2-hydroxy-5-phenylbenzoic acid

4-chloro-2-hydroxy-5-phenylbenzoic acid (PubChem CID 90672085) has the molecular formula C13H9ClO3 and a molecular weight of 248.66 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-5-phenylbenzoic acid.

Molecular Properties

Compound Name4-chloro-2-hydroxy-5-phenylbenzoic acid
PubChem CID90672085
Molecular FormulaC13H9ClO3
Molecular Weight248.66 g/mol
Exact Mass248.02
IUPAC Name4-chloro-2-hydroxy-5-phenylbenzoic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(Cl)cc1O
InChIInChI=1S/C13H9ClO3/c14-11-7-12(15)10(13(16)17)6-9(11)8-4-2-1-3-5-8/h1-7,15H,(H,16,17)
InChIKeyJRBFDNUELHRTTO-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 ≤ 500248.66
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-5-phenylbenzoic acid?
The IUPAC name of 4-chloro-2-hydroxy-5-phenylbenzoic acid (CID 90672085) is 4-chloro-2-hydroxy-5-phenylbenzoic acid.
What is the SMILES notation for 4-chloro-2-hydroxy-5-phenylbenzoic acid?
The canonical SMILES for 4-chloro-2-hydroxy-5-phenylbenzoic acid is O=C(O)c1cc(-c2ccccc2)c(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-5-phenylbenzoic acid?
The InChIKey is JRBFDNUELHRTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO3/c14-11-7-12(15)10(13(16)17)6-9(11)8-4-2-1-3-5-8/h1-7,15H,(H,16,17).
What are the key properties of 4-chloro-2-hydroxy-5-phenylbenzoic acid?
4-chloro-2-hydroxy-5-phenylbenzoic acid has a molecular weight of 248.66 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 4-chloro-2-hydroxy-5-phenylbenzoic acid is sourced from PubChem (CID 90672085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).