2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid

C14H8O10 — CID 139950866

IUPAC2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid
SMILESO=C(O)c1cc(O)c(C(=O)O)c2c(C(=O)O)c(O)cc(C(=O)O)c12
InChIInChI=1S/C14H8O10/c15-5-1-3(11(17)18)7-4(12(19)20)2-6(16)9(14(23)24)10(7)8(5)13(21)22/h1-2,15-16H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyFPJFUQZRWAMFRN-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.04
Rot. Bonds4

About 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid

2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid (PubChem CID 139950866) has the molecular formula C14H8O10 and a molecular weight of 336.21 g/mol. Its IUPAC name is 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid.

Molecular Properties

Compound Name2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid
PubChem CID139950866
Molecular FormulaC14H8O10
Molecular Weight336.21 g/mol
Exact Mass336.01
IUPAC Name2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid
SMILESO=C(O)c1cc(O)c(C(=O)O)c2c(C(=O)O)c(O)cc(C(=O)O)c12
InChIInChI=1S/C14H8O10/c15-5-1-3(11(17)18)7-4(12(19)20)2-6(16)9(14(23)24)10(7)8(5)13(21)22/h1-2,15-16H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyFPJFUQZRWAMFRN-UHFFFAOYSA-N
XLogP1.04
TPSA189.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.21
LogP ≤ 51.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid?
The IUPAC name of 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid (CID 139950866) is 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid.
What is the SMILES notation for 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid?
The canonical SMILES for 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid is O=C(O)c1cc(O)c(C(=O)O)c2c(C(=O)O)c(O)cc(C(=O)O)c12.
What is the InChIKey of 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid?
The InChIKey is FPJFUQZRWAMFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O10/c15-5-1-3(11(17)18)7-4(12(19)20)2-6(16)9(14(23)24)10(7)8(5)13(21)22/h1-2,15-16H,(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid?
2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid has a molecular weight of 336.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid is sourced from PubChem (CID 139950866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).