1,8-dimethylnaphthalene-2-carboxylic acid

C13H12O2 — CID 115057529

IUPAC1,8-dimethylnaphthalene-2-carboxylic acid
SMILESCc1cccc2ccc(C(=O)O)c(C)c12
InChIInChI=1S/C13H12O2/c1-8-4-3-5-10-6-7-11(13(14)15)9(2)12(8)10/h3-7H,1-2H3,(H,14,15)
InChIKeyCOVKLVRHPUTUSA-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.15
Rot. Bonds1

About 1,8-dimethylnaphthalene-2-carboxylic acid

1,8-dimethylnaphthalene-2-carboxylic acid (PubChem CID 115057529) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,8-dimethylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1,8-dimethylnaphthalene-2-carboxylic acid
PubChem CID115057529
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name1,8-dimethylnaphthalene-2-carboxylic acid
SMILESCc1cccc2ccc(C(=O)O)c(C)c12
InChIInChI=1S/C13H12O2/c1-8-4-3-5-10-6-7-11(13(14)15)9(2)12(8)10/h3-7H,1-2H3,(H,14,15)
InChIKeyCOVKLVRHPUTUSA-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

Analyze 1,8-dimethylnaphthalene-2-carboxylic 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

8-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 115057552
acetic acid;1,8-dimethylnaphthalen-2-ol
CID 71380004
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
3-iodyl-4,5-dimethylnaphthalene-2-carboxylic acid
CID 23357807
2,3-dimethylterephthalic acid
CID 158313107
3,4-dihydroxy-5-methylnaphthalene-2-carboxylic acid
CID 130295389
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
coronene;phthalic acid
CID 174757958
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
4,5-dimethylphenanthrene;ethane
CID 143983787
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
2-methylbenzene-1,3-dicarboxylic acid;1-(2-methylphenyl)naphthalene
CID 174256313

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethylnaphthalene-2-carboxylic acid?
The IUPAC name of 1,8-dimethylnaphthalene-2-carboxylic acid (CID 115057529) is 1,8-dimethylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1,8-dimethylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1,8-dimethylnaphthalene-2-carboxylic acid is Cc1cccc2ccc(C(=O)O)c(C)c12.
What is the InChIKey of 1,8-dimethylnaphthalene-2-carboxylic acid?
The InChIKey is COVKLVRHPUTUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-8-4-3-5-10-6-7-11(13(14)15)9(2)12(8)10/h3-7H,1-2H3,(H,14,15).
What are the key properties of 1,8-dimethylnaphthalene-2-carboxylic acid?
1,8-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 1,8-dimethylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).