2-methylbenzoic acid

C8H8O2 — CID 8373

IUPAC2-methylbenzoic acid
SMILESCc1ccccc1C(=O)O
InChIInChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyZWLPBLYKEWSWPD-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.69
Rot. Bonds1

About 2-methylbenzoic acid

2-methylbenzoic acid (PubChem CID 8373) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-methylbenzoic acid.

Molecular Properties

Compound Name2-methylbenzoic acid
PubChem CID8373
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name2-methylbenzoic acid
SMILESCc1ccccc1C(=O)O
InChIInChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyZWLPBLYKEWSWPD-UHFFFAOYSA-N
XLogP1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzoic Acid
CID 243
Diethyl Phthalate
CID 6781
Benzoyl Peroxide
CID 7187
Sodium Benzoate
CID 517055
Phthalic Acid
CID 1017
Dimethyl Phthalate
CID 8554
Methyl Benzoate
CID 7150
Terephthalic Acid
CID 7489
Isophthalic Acid
CID 8496
2-Hydroxy-1,4-naphthoquinone
CID 6755
Mono(2-ethylhexyl) phthalate
CID 20393
P-Toluic Acid
CID 7470

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzoic acid?
The IUPAC name of 2-methylbenzoic acid (CID 8373) is 2-methylbenzoic acid.
What is the SMILES notation for 2-methylbenzoic acid?
The canonical SMILES for 2-methylbenzoic acid is Cc1ccccc1C(=O)O.
What is the InChIKey of 2-methylbenzoic acid?
The InChIKey is ZWLPBLYKEWSWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10).
What are the key properties of 2-methylbenzoic acid?
2-methylbenzoic acid has a molecular weight of 136.15 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzoic acid is sourced from PubChem (CID 8373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).