4-chloro-2-hydroxy-3-methylbenzoic acid

C8H7ClO3 — CID 22759539

IUPAC4-chloro-2-hydroxy-3-methylbenzoic acid
SMILESCc1c(Cl)ccc(C(=O)O)c1O
InChIInChI=1S/C8H7ClO3/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyCGJHIFIENPTILN-UHFFFAOYSA-N
MW186.59 g/mol
LogP2.05
Rot. Bonds1

About 4-chloro-2-hydroxy-3-methylbenzoic acid

4-chloro-2-hydroxy-3-methylbenzoic acid (PubChem CID 22759539) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name4-chloro-2-hydroxy-3-methylbenzoic acid
PubChem CID22759539
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Name4-chloro-2-hydroxy-3-methylbenzoic acid
SMILESCc1c(Cl)ccc(C(=O)O)c1O
InChIInChI=1S/C8H7ClO3/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyCGJHIFIENPTILN-UHFFFAOYSA-N
XLogP2.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 52.05
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-3-methylbenzoic acid?
The IUPAC name of 4-chloro-2-hydroxy-3-methylbenzoic acid (CID 22759539) is 4-chloro-2-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 4-chloro-2-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 4-chloro-2-hydroxy-3-methylbenzoic acid is Cc1c(Cl)ccc(C(=O)O)c1O.
What is the InChIKey of 4-chloro-2-hydroxy-3-methylbenzoic acid?
The InChIKey is CGJHIFIENPTILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12).
What are the key properties of 4-chloro-2-hydroxy-3-methylbenzoic acid?
4-chloro-2-hydroxy-3-methylbenzoic acid has a molecular weight of 186.59 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 22759539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).