6-methylnaphthalene-1,4-dicarboxylic acid

C13H10O4 — CID 23139708

IUPAC6-methylnaphthalene-1,4-dicarboxylic acid
SMILESCc1ccc2c(C(=O)O)ccc(C(=O)O)c2c1
InChIInChI=1S/C13H10O4/c1-7-2-3-8-9(12(14)15)4-5-10(13(16)17)11(8)6-7/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyQJFOZNHTRXCIHQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.54
Rot. Bonds2

About 6-methylnaphthalene-1,4-dicarboxylic acid

6-methylnaphthalene-1,4-dicarboxylic acid (PubChem CID 23139708) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-methylnaphthalene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name6-methylnaphthalene-1,4-dicarboxylic acid
PubChem CID23139708
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name6-methylnaphthalene-1,4-dicarboxylic acid
SMILESCc1ccc2c(C(=O)O)ccc(C(=O)O)c2c1
InChIInChI=1S/C13H10O4/c1-7-2-3-8-9(12(14)15)4-5-10(13(16)17)11(8)6-7/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyQJFOZNHTRXCIHQ-UHFFFAOYSA-N
XLogP2.54
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-carboxy-5-methylphenolate
CID 54675829
2-iodo-4-methylbenzoic acid
CID 4285392
1-amino-6-methylnaphthalene-2-carboxylic acid
CID 115022209
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
2-ethyl-4-methylbenzoic acid
CID 19886963
7-methylnaphthalene-1,2,3-tricarboxylic acid
CID 143435448
6-methylsulfonylnaphthalene-1,4-dicarboxylic acid
CID 57081801
disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)
CID 178181369
7-methylquinoline-2,4-dicarboxylic acid
CID 121010351
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
7-methyl-2-oxochromene-4-carboxylic acid
CID 12820478

Frequently Asked Questions

What is the IUPAC name of 6-methylnaphthalene-1,4-dicarboxylic acid?
The IUPAC name of 6-methylnaphthalene-1,4-dicarboxylic acid (CID 23139708) is 6-methylnaphthalene-1,4-dicarboxylic acid.
What is the SMILES notation for 6-methylnaphthalene-1,4-dicarboxylic acid?
The canonical SMILES for 6-methylnaphthalene-1,4-dicarboxylic acid is Cc1ccc2c(C(=O)O)ccc(C(=O)O)c2c1.
What is the InChIKey of 6-methylnaphthalene-1,4-dicarboxylic acid?
The InChIKey is QJFOZNHTRXCIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c1-7-2-3-8-9(12(14)15)4-5-10(13(16)17)11(8)6-7/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-methylnaphthalene-1,4-dicarboxylic acid?
6-methylnaphthalene-1,4-dicarboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnaphthalene-1,4-dicarboxylic acid is sourced from PubChem (CID 23139708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).