2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid

C22H14O5 — CID 57145016

IUPAC2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid
SMILESO=C(Oc1ccc2ccccc2c1C(=O)O)c1ccc2ccccc2c1O
InChIInChI=1S/C22H14O5/c23-20-16-8-4-2-6-14(16)9-11-17(20)22(26)27-18-12-10-13-5-1-3-7-15(13)19(18)21(24)25/h1-12,23H,(H,24,25)
InChIKeyXRSTYWQJRGRMCZ-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.62
Rot. Bonds3

About 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid

2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid (PubChem CID 57145016) has the molecular formula C22H14O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid
PubChem CID57145016
Molecular FormulaC22H14O5
Molecular Weight358.35 g/mol
Exact Mass358.08
IUPAC Name2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid
SMILESO=C(Oc1ccc2ccccc2c1C(=O)O)c1ccc2ccccc2c1O
InChIInChI=1S/C22H14O5/c23-20-16-8-4-2-6-14(16)9-11-17(20)22(26)27-18-12-10-13-5-1-3-7-15(13)19(18)21(24)25/h1-12,23H,(H,24,25)
InChIKeyXRSTYWQJRGRMCZ-UHFFFAOYSA-N
XLogP4.62
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
CID 57144656
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
2-phenoxyethoxybenzene;phenyl 1-hydroxynaphthalene-2-carboxylate
CID 66847564
quinolin-8-yl 1-hydroxynaphthalene-2-carboxylate
CID 90474305
naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
diphenyl naphthalene-1,2-dicarboxylate
CID 22408719
(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 163643445
2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid
CID 54563578
3,4-dihydroxyphthalic acid;naphthalene-1,2-diol
CID 70365447
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
3-(2-hydroxynaphthalene-1-carbonyl)oxynaphthalene-2-carboxylic acid
CID 57176431

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid?
The IUPAC name of 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid (CID 57145016) is 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid?
The canonical SMILES for 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid is O=C(Oc1ccc2ccccc2c1C(=O)O)c1ccc2ccccc2c1O.
What is the InChIKey of 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid?
The InChIKey is XRSTYWQJRGRMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O5/c23-20-16-8-4-2-6-14(16)9-11-17(20)22(26)27-18-12-10-13-5-1-3-7-15(13)19(18)21(24)25/h1-12,23H,(H,24,25).
What are the key properties of 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid?
2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 57145016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).