P-Toluic Acid

C8H8O2 — CID 7470

IUPAC4-methylbenzoic acid
SMILESCC1=CC=C(C=C1)C(=O)O
InChIInChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyLPNBBFKOUUSUDB-UHFFFAOYSA-N
MW136.15 g/mol
LogP2.30
Rot. Bonds1

About P-Toluic Acid

P-Toluic Acid (PubChem CID 7470) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-methylbenzoic acid.

Molecular Properties

Compound NameP-Toluic Acid
PubChem CID7470
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name4-methylbenzoic acid
SMILESCC1=CC=C(C=C1)C(=O)O
InChIInChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyLPNBBFKOUUSUDB-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity123

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze P-Toluic Acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzoic Acid
CID 243
Benzoyl Peroxide
CID 7187
Sodium Benzoate
CID 517055
Phthalic Acid
CID 1017
Methyl Benzoate
CID 7150
Terephthalic Acid
CID 7489
Dimethyl terephthalate
CID 8441
Isophthalic Acid
CID 8496
Butyl Benzoate
CID 8698
Potassium Benzoate
CID 23661960
4-tert-Butylbenzoic acid
CID 7403
Propyl Benzoate
CID 16846

Frequently Asked Questions

What is the IUPAC name of P-Toluic Acid?
The IUPAC name of P-Toluic Acid (CID 7470) is 4-methylbenzoic acid.
What is the SMILES notation for P-Toluic Acid?
The canonical SMILES for P-Toluic Acid is CC1=CC=C(C=C1)C(=O)O.
What is the InChIKey of P-Toluic Acid?
The InChIKey is LPNBBFKOUUSUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10).
What are the key properties of P-Toluic Acid?
P-Toluic Acid has a molecular weight of 136.15 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for P-Toluic Acid is sourced from PubChem (CID 7470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).