6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid

C13H12O3 — CID 155685951

IUPAC6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid
SMILESCc1cc2cc(C(=O)O)cc(C)c2cc1O
InChIInChI=1S/C13H12O3/c1-7-3-10(13(15)16)5-9-4-8(2)12(14)6-11(7)9/h3-6,14H,1-2H3,(H,15,16)
InChIKeyOPKWEJRQLOWJFI-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.86
Rot. Bonds1

About 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid

6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid (PubChem CID 155685951) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid
PubChem CID155685951
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid
SMILESCc1cc2cc(C(=O)O)cc(C)c2cc1O
InChIInChI=1S/C13H12O3/c1-7-3-10(13(15)16)5-9-4-8(2)12(14)6-11(7)9/h3-6,14H,1-2H3,(H,15,16)
InChIKeyOPKWEJRQLOWJFI-UHFFFAOYSA-N
XLogP2.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-carboxy-2,6-dimethylphenoxy)-3,5-dimethylbenzoic acid
CID 139991127
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
3-hydroxy-5-methyl-4-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
CID 162952851
4-chloro-8-methylnaphthalene-2,6-dicarboxylic acid
CID 139948377
benzoic acid;4-tert-butyl-6-methylbenzene-1,3-diol
CID 174980264
3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid
CID 64749295
2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid
CID 67747125
3,5-dimethyl-4-(oxan-4-yloxy)benzoic acid
CID 63937445
7-chloro-4-hydroxynaphthalene-2-carboxylic acid
CID 58932959
5-hydroxy-6-methyl-1H-indole-2-carboxylic acid
CID 83817997
2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid
CID 67904664
magnesium;hydride;3,4,5-trihydroxybenzoic acid
CID 173071823

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid?
The IUPAC name of 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid (CID 155685951) is 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid is Cc1cc2cc(C(=O)O)cc(C)c2cc1O.
What is the InChIKey of 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid?
The InChIKey is OPKWEJRQLOWJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-7-3-10(13(15)16)5-9-4-8(2)12(14)6-11(7)9/h3-6,14H,1-2H3,(H,15,16).
What are the key properties of 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid?
6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4,7-dimethylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 155685951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).