3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid

C22H14O5 — CID 57144656

IUPAC3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1OC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C22H14O5/c23-20-16-8-4-3-5-13(16)9-10-17(20)22(26)27-19-12-15-7-2-1-6-14(15)11-18(19)21(24)25/h1-12,23H,(H,24,25)
InChIKeyPWOGXDFMNVXZLV-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.62
Rot. Bonds3

About 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid

3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid (PubChem CID 57144656) has the molecular formula C22H14O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
PubChem CID57144656
Molecular FormulaC22H14O5
Molecular Weight358.35 g/mol
Exact Mass358.08
IUPAC Name3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1OC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C22H14O5/c23-20-16-8-4-3-5-13(16)9-10-17(20)22(26)27-19-12-15-7-2-1-6-14(15)11-18(19)21(24)25/h1-12,23H,(H,24,25)
InChIKeyPWOGXDFMNVXZLV-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-(2-hydroxynaphthalene-1-carbonyl)oxynaphthalene-2-carboxylic acid
CID 57176431
3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
CID 54032233
2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid
CID 57145016
2-phenoxyethoxybenzene;phenyl 1-hydroxynaphthalene-2-carboxylate
CID 66847564
3-(3,7-dihydroxynaphthalene-2-carbonyl)oxy-7-hydroxynaphthalene-2-carboxylic acid
CID 123164548
quinolin-8-yl 1-hydroxynaphthalene-2-carboxylate
CID 90474305
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 163643445
3-(3-chlorobenzoyl)oxynaphthalene-2-carboxylic acid
CID 2818675
3,4-dihydroxybenzoic acid;1-hydroxynaphthalene-2-carboxylic acid
CID 159518450
3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid (CID 57144656) is 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1OC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid?
The InChIKey is PWOGXDFMNVXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O5/c23-20-16-8-4-3-5-13(16)9-10-17(20)22(26)27-19-12-15-7-2-1-6-14(15)11-18(19)21(24)25/h1-12,23H,(H,24,25).
What are the key properties of 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid?
3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-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 3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 57144656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).