2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid

C22H14O5 — CID 70122105

IUPAC2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(-c3cc(O)c4ccccc4c3C(=O)O)cccc12
InChIInChI=1S/C22H14O5/c23-19-11-18(20(22(26)27)16-6-2-1-5-15(16)19)14-9-3-8-13-12(14)7-4-10-17(13)21(24)25/h1-11,23H,(H,24,25)(H,26,27)
InChIKeyATVLXNRGKFXIEO-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.76
Rot. Bonds3

About 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid

2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid (PubChem CID 70122105) has the molecular formula C22H14O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid
PubChem CID70122105
Molecular FormulaC22H14O5
Molecular Weight358.35 g/mol
Exact Mass358.08
IUPAC Name2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(-c3cc(O)c4ccccc4c3C(=O)O)cccc12
InChIInChI=1S/C22H14O5/c23-19-11-18(20(22(26)27)16-6-2-1-5-15(16)19)14-9-3-8-13-12(14)7-4-10-17(13)21(24)25/h1-11,23H,(H,24,25)(H,26,27)
InChIKeyATVLXNRGKFXIEO-UHFFFAOYSA-N
XLogP4.76
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
1-[1-[2-(2-carboxy-4-hydroxynaphthalen-1-yl)-4-hydroxynaphthalen-1-yl]oxy-4-hydroxynaphthalen-2-yl]-4-hydroxynaphthalene-2-carboxylic acid
CID 142660456
dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
CID 178181364
3-(2,5-dihydroxyphenyl)phthalic acid
CID 151355033
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid
CID 67709035
potassium;benzene-1,2,3-tricarboxylic acid;hydride
CID 174768168
benzene-1,2-diol;phthalic acid
CID 160861167
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
2,3,5-trihydroxynaphthalene-1-carboxylic acid
CID 57055714
3-phenylphthalic acid;dihydrobromide
CID 67683459

Frequently Asked Questions

What is the IUPAC name of 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid (CID 70122105) is 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid is O=C(O)c1cccc2c(-c3cc(O)c4ccccc4c3C(=O)O)cccc12.
What is the InChIKey of 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid?
The InChIKey is ATVLXNRGKFXIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O5/c23-19-11-18(20(22(26)27)16-6-2-1-5-15(16)19)14-9-3-8-13-12(14)7-4-10-17(13)21(24)25/h1-11,23H,(H,24,25)(H,26,27).
What are the key properties of 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid?
2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 70122105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).