2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid

C13H12O4 — CID 10944306

IUPAC2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
SMILESCOc1cc(C)c2ccc(O)c(C(=O)O)c2c1
InChIInChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKeyLYGUXQMPYLCEGL-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.56
Rot. Bonds2

About 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid

2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid (PubChem CID 10944306) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
PubChem CID10944306
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
SMILESCOc1cc(C)c2ccc(O)c(C(=O)O)c2c1
InChIInChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKeyLYGUXQMPYLCEGL-UHFFFAOYSA-N
XLogP2.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
6-methoxy-8-methylnaphthalene-2-carboxylic acid
CID 91342248
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
3-formyl-5-methoxy-7-methyl-1H-indole-2-carboxylic acid
CID 84627395
5-methoxy-7-methyl-2H-indazole-3-carboxylic acid
CID 24729297
6-methoxy-8-methylquinoline-4-carboxylic acid
CID 83640648
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
CID 13085663
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
2,6-dihydroxynaphthalene-1-carboxylic acid
CID 10149075
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid?
The IUPAC name of 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid (CID 10944306) is 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid is COc1cc(C)c2ccc(O)c(C(=O)O)c2c1.
What is the InChIKey of 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid?
The InChIKey is LYGUXQMPYLCEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16).
What are the key properties of 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid?
2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid has a molecular weight of 232.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 10944306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).