2,4-dimethylnaphthalene-1-carboxylic acid

C13H12O2 — CID 100912182

IUPAC2,4-dimethylnaphthalene-1-carboxylic acid
SMILESCc1cc(C)c2ccccc2c1C(=O)O
InChIInChI=1S/C13H12O2/c1-8-7-9(2)12(13(14)15)11-6-4-3-5-10(8)11/h3-7H,1-2H3,(H,14,15)
InChIKeyKEPPOLAAFISLJN-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.15
Rot. Bonds1

About 2,4-dimethylnaphthalene-1-carboxylic acid

2,4-dimethylnaphthalene-1-carboxylic acid (PubChem CID 100912182) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,4-dimethylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethylnaphthalene-1-carboxylic acid
PubChem CID100912182
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2,4-dimethylnaphthalene-1-carboxylic acid
SMILESCc1cc(C)c2ccccc2c1C(=O)O
InChIInChI=1S/C13H12O2/c1-8-7-9(2)12(13(14)15)11-6-4-3-5-10(8)11/h3-7H,1-2H3,(H,14,15)
InChIKeyKEPPOLAAFISLJN-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-trimethylnaphthalene-1-carboxylic acid
CID 14435026
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
1-amino-3-methylnaphthalene-2-carboxylic acid
CID 45089580
5-bromo-1-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 123762849
1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 67376724
5-carbonochloridoyl-2-methylnaphthalene-1-carboxylic acid
CID 166784662
1,3-dimethyl-2-benzothiophene;2,5-dimethylthiophene-3,4-dicarboxylic acid
CID 159324203
2-chloro-6-methyl-4-phenylbenzoic acid
CID 140590152
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487
3-hydroxy-2,4,6-trimethylbenzoic acid
CID 84657275

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylnaphthalene-1-carboxylic acid?
The IUPAC name of 2,4-dimethylnaphthalene-1-carboxylic acid (CID 100912182) is 2,4-dimethylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 2,4-dimethylnaphthalene-1-carboxylic acid?
The canonical SMILES for 2,4-dimethylnaphthalene-1-carboxylic acid is Cc1cc(C)c2ccccc2c1C(=O)O.
What is the InChIKey of 2,4-dimethylnaphthalene-1-carboxylic acid?
The InChIKey is KEPPOLAAFISLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-8-7-9(2)12(13(14)15)11-6-4-3-5-10(8)11/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2,4-dimethylnaphthalene-1-carboxylic acid?
2,4-dimethylnaphthalene-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 100912182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).