3-chloro-4-hydroxybenzoic acid

C7H5ClO3 — CID 19860

IUPAC3-chloro-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChIKeyQGNLHMKIGMZKJX-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.74
Rot. Bonds1

About 3-chloro-4-hydroxybenzoic acid

3-chloro-4-hydroxybenzoic acid (PubChem CID 19860) has the molecular formula C7H5ClO3 and a molecular weight of 172.57 g/mol. Its IUPAC name is 3-chloro-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-chloro-4-hydroxybenzoic acid
PubChem CID19860
Molecular FormulaC7H5ClO3
Molecular Weight172.57 g/mol
Exact Mass171.99
IUPAC Name3-chloro-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChIKeyQGNLHMKIGMZKJX-UHFFFAOYSA-N
XLogP1.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxybenzoic acid?
The IUPAC name of 3-chloro-4-hydroxybenzoic acid (CID 19860) is 3-chloro-4-hydroxybenzoic acid.
What is the SMILES notation for 3-chloro-4-hydroxybenzoic acid?
The canonical SMILES for 3-chloro-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxybenzoic acid?
The InChIKey is QGNLHMKIGMZKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11).
What are the key properties of 3-chloro-4-hydroxybenzoic acid?
3-chloro-4-hydroxybenzoic acid has a molecular weight of 172.57 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxybenzoic acid is sourced from PubChem (CID 19860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).