3,4-dimethylnaphthalene-2-carboxylic acid

C13H12O2 — CID 163849681

IUPAC3,4-dimethylnaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)cc2ccccc2c1C
InChIInChI=1S/C13H12O2/c1-8-9(2)12(13(14)15)7-10-5-3-4-6-11(8)10/h3-7H,1-2H3,(H,14,15)
InChIKeyOTGUPWWAWWXCGP-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.15
Rot. Bonds1

About 3,4-dimethylnaphthalene-2-carboxylic acid

3,4-dimethylnaphthalene-2-carboxylic acid (PubChem CID 163849681) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3,4-dimethylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dimethylnaphthalene-2-carboxylic acid
PubChem CID163849681
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3,4-dimethylnaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)cc2ccccc2c1C
InChIInChI=1S/C13H12O2/c1-8-9(2)12(13(14)15)7-10-5-3-4-6-11(8)10/h3-7H,1-2H3,(H,14,15)
InChIKeyOTGUPWWAWWXCGP-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

4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
benzo[a]anthracene-9,10-dicarboxylic acid
CID 175115452
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
4-[(3-chloro-2-hydroxypropyl)amino]-3-methylnaphthalene-2-carboxylic acid
CID 168640761
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
3-amino-2-methylnaphthalene-1-carboxylic acid
CID 154166226

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylnaphthalene-2-carboxylic acid?
The IUPAC name of 3,4-dimethylnaphthalene-2-carboxylic acid (CID 163849681) is 3,4-dimethylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 3,4-dimethylnaphthalene-2-carboxylic acid?
The canonical SMILES for 3,4-dimethylnaphthalene-2-carboxylic acid is Cc1c(C(=O)O)cc2ccccc2c1C.
What is the InChIKey of 3,4-dimethylnaphthalene-2-carboxylic acid?
The InChIKey is OTGUPWWAWWXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-8-9(2)12(13(14)15)7-10-5-3-4-6-11(8)10/h3-7H,1-2H3,(H,14,15).
What are the key properties of 3,4-dimethylnaphthalene-2-carboxylic acid?
3,4-dimethylnaphthalene-2-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 3,4-dimethylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 163849681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).