1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid

C22H14O4 — CID 2810167

IUPAC1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26)
InChIKeyYDZNRNHKJQTGCG-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.06
Rot. Bonds3

About 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid

1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid (PubChem CID 2810167) has the molecular formula C22H14O4 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid
PubChem CID2810167
Molecular FormulaC22H14O4
Molecular Weight342.35 g/mol
Exact Mass342.09
IUPAC Name1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26)
InChIKeyYDZNRNHKJQTGCG-UHFFFAOYSA-N
XLogP5.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid (CID 2810167) is 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid?
The InChIKey is YDZNRNHKJQTGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26).
What are the key properties of 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid?
1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid has a molecular weight of 342.35 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 2810167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).