7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid

C18H12O5 — CID 59122812

IUPAC7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc4c(c3)OCO4)ccc2cc1O
InChIInChI=1S/C18H12O5/c19-15-7-11-2-1-10(5-13(11)6-14(15)18(20)21)12-3-4-16-17(8-12)23-9-22-16/h1-8,19H,9H2,(H,20,21)
InChIKeyZYSTTYNEEVNMQB-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.64
Rot. Bonds2

About 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid

7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid (PubChem CID 59122812) has the molecular formula C18H12O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid
PubChem CID59122812
Molecular FormulaC18H12O5
Molecular Weight308.29 g/mol
Exact Mass308.07
IUPAC Name7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc4c(c3)OCO4)ccc2cc1O
InChIInChI=1S/C18H12O5/c19-15-7-11-2-1-10(5-13(11)6-14(15)18(20)21)12-3-4-16-17(8-12)23-9-22-16/h1-8,19H,9H2,(H,20,21)
InChIKeyZYSTTYNEEVNMQB-UHFFFAOYSA-N
XLogP3.64
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,3-benzodioxol-5-yl)benzo[g][1,3]benzodioxole-7,8-dicarboxylic acid
CID 5273805
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
4-(1,3-benzodioxol-5-yl)pyridine-2-carboxylic acid
CID 53223206
1,3-benzodioxole-5,6-dicarboxylic acid
CID 610879
3-hydroxy-7-hydroxysulfanylnaphthalene-2-carboxylic acid
CID 142855010
4-(1,3-benzodioxol-5-yl)-2-chlorophenol
CID 39232296
CID 69256301
CID 69256301
3-amino-5-(1,3-benzodioxol-5-yl)benzoic acid
CID 53226204
3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806099
5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
CID 16776296
[4-(1,3-benzodioxol-5-yl)-3,5-dihydroxyphenyl]-phenylmethanone
CID 162666599

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid (CID 59122812) is 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc2cc(-c3ccc4c(c3)OCO4)ccc2cc1O.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is ZYSTTYNEEVNMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O5/c19-15-7-11-2-1-10(5-13(11)6-14(15)18(20)21)12-3-4-16-17(8-12)23-9-22-16/h1-8,19H,9H2,(H,20,21).
What are the key properties of 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid?
7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 308.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 59122812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).