naphthalene-1,2,4,8-tetracarboxylic acid

C14H8O8 — CID 21270256

IUPACnaphthalene-1,2,4,8-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2cccc(C(=O)O)c2c1C(=O)O
InChIInChI=1S/C14H8O8/c15-11(16)6-3-1-2-5-7(12(17)18)4-8(13(19)20)10(9(5)6)14(21)22/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyABXHLPWEGSOZHG-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.63
Rot. Bonds4

About naphthalene-1,2,4,8-tetracarboxylic acid

naphthalene-1,2,4,8-tetracarboxylic acid (PubChem CID 21270256) has the molecular formula C14H8O8 and a molecular weight of 304.21 g/mol. Its IUPAC name is naphthalene-1,2,4,8-tetracarboxylic acid.

Molecular Properties

Compound Namenaphthalene-1,2,4,8-tetracarboxylic acid
PubChem CID21270256
Molecular FormulaC14H8O8
Molecular Weight304.21 g/mol
Exact Mass304.02
IUPAC Namenaphthalene-1,2,4,8-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2cccc(C(=O)O)c2c1C(=O)O
InChIInChI=1S/C14H8O8/c15-11(16)6-3-1-2-5-7(12(17)18)4-8(13(19)20)10(9(5)6)14(21)22/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyABXHLPWEGSOZHG-UHFFFAOYSA-N
XLogP1.63
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 159720700
10-methylanthracene-1,9-dicarboxylic acid
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CID 91865760
cerium;tris(naphthalene-1,5-dicarboxylic acid)
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sodium;hydride;naphthalene-1,8-dicarboxylic acid
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perylene-2,3,5,9-tetracarboxylic acid
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5,8-dihydroxynaphthalene-1-carboxylic acid
CID 68625233
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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,4,8-tetracarboxylic acid?
The IUPAC name of naphthalene-1,2,4,8-tetracarboxylic acid (CID 21270256) is naphthalene-1,2,4,8-tetracarboxylic acid.
What is the SMILES notation for naphthalene-1,2,4,8-tetracarboxylic acid?
The canonical SMILES for naphthalene-1,2,4,8-tetracarboxylic acid is O=C(O)c1cc(C(=O)O)c2cccc(C(=O)O)c2c1C(=O)O.
What is the InChIKey of naphthalene-1,2,4,8-tetracarboxylic acid?
The InChIKey is ABXHLPWEGSOZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O8/c15-11(16)6-3-1-2-5-7(12(17)18)4-8(13(19)20)10(9(5)6)14(21)22/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of naphthalene-1,2,4,8-tetracarboxylic acid?
naphthalene-1,2,4,8-tetracarboxylic acid has a molecular weight of 304.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,4,8-tetracarboxylic acid is sourced from PubChem (CID 21270256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).