1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid

C22H14O7 — CID 57055286

IUPAC1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(O)cc2c(O)cccc2c1C(=O)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C22H14O7/c23-15-5-1-3-10-7-14(17(25)8-12(10)15)21(27)19-11-4-2-6-16(24)13(11)9-18(26)20(19)22(28)29/h1-9,23-26H,(H,28,29)
InChIKeyILZDTQIJALCJFI-UHFFFAOYSA-N
MW390.35 g/mol
LogP3.74
Rot. Bonds3

About 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid

1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid (PubChem CID 57055286) has the molecular formula C22H14O7 and a molecular weight of 390.35 g/mol. Its IUPAC name is 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid
PubChem CID57055286
Molecular FormulaC22H14O7
Molecular Weight390.35 g/mol
Exact Mass390.07
IUPAC Name1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(O)cc2c(O)cccc2c1C(=O)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C22H14O7/c23-15-5-1-3-10-7-14(17(25)8-12(10)15)21(27)19-11-4-2-6-16(24)13(11)9-18(26)20(19)22(28)29/h1-9,23-26H,(H,28,29)
InChIKeyILZDTQIJALCJFI-UHFFFAOYSA-N
XLogP3.74
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 53.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,5-trihydroxynaphthalene-1-carboxylic acid
CID 57055714
2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487
6-carboxy-7-hydroxynaphthalen-1-olate
CID 54694260
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
1-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 57137470
5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid
CID 23357093
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
N,N-diethyl-3,5-dihydroxynaphthalene-2-carboxamide
CID 70248238
(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
CID 67114355
3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid
CID 101339177
2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate
CID 18787642
CID 69256301
CID 69256301

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid (CID 57055286) is 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid is O=C(O)c1c(O)cc2c(O)cccc2c1C(=O)c1cc2cccc(O)c2cc1O.
What is the InChIKey of 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid?
The InChIKey is ILZDTQIJALCJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O7/c23-15-5-1-3-10-7-14(17(25)8-12(10)15)21(27)19-11-4-2-6-16(24)13(11)9-18(26)20(19)22(28)29/h1-9,23-26H,(H,28,29).
What are the key properties of 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid?
1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid has a molecular weight of 390.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 57055286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).