5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid

C14H12O5 — CID 154279183

IUPAC5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid
SMILESCOC(=O)c1cc(O)c2ccc(C(=O)O)cc2c1C
InChIInChI=1S/C14H12O5/c1-7-10-5-8(13(16)17)3-4-9(10)12(15)6-11(7)14(18)19-2/h3-6,15H,1-2H3,(H,16,17)
InChIKeyHINCUHLINHBPMP-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.34
Rot. Bonds2

About 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid

5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid (PubChem CID 154279183) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid
PubChem CID154279183
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid
SMILESCOC(=O)c1cc(O)c2ccc(C(=O)O)cc2c1C
InChIInChI=1S/C14H12O5/c1-7-10-5-8(13(16)17)3-4-9(10)12(15)6-11(7)14(18)19-2/h3-6,15H,1-2H3,(H,16,17)
InChIKeyHINCUHLINHBPMP-UHFFFAOYSA-N
XLogP2.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
3-methoxycarbonyl-4-sulfanylbenzoic acid
CID 91874282
methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate
CID 177113788
3-hydroxy-4-(4-methoxycarbonylphenyl)sulfanylbenzoic acid
CID 91878751
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
CID 67391169
CID 67391169
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
dimethyl naphthalene-2,6-dicarboxylate;1,3-dimethylnaphthalene-2,6-dicarboxylic acid
CID 159775814
dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10706656
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
CID 67377011
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
CID 170457455
methyl 4-hydroxybenzoate;3,4,5-trihydroxybenzoic acid
CID 166790822

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid (CID 154279183) is 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid is COC(=O)c1cc(O)c2ccc(C(=O)O)cc2c1C.
What is the InChIKey of 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid?
The InChIKey is HINCUHLINHBPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-7-10-5-8(13(16)17)3-4-9(10)12(15)6-11(7)14(18)19-2/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid?
5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 154279183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).