5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid

C23H16O6 — CID 166589858

IUPAC5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid
SMILESO=COc1ccc2c(Cc3c(O)ccc4cc(C(=O)O)ccc34)c(O)ccc2c1
InChIInChI=1S/C23H16O6/c24-12-29-16-4-6-18-14(10-16)3-8-22(26)20(18)11-19-17-5-1-15(23(27)28)9-13(17)2-7-21(19)25/h1-10,12,25-26H,11H2,(H,27,28)
InChIKeyIITZJTIFIYCGAL-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.23
Rot. Bonds5

About 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid

5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid (PubChem CID 166589858) has the molecular formula C23H16O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid
PubChem CID166589858
Molecular FormulaC23H16O6
Molecular Weight388.38 g/mol
Exact Mass388.09
IUPAC Name5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid
SMILESO=COc1ccc2c(Cc3c(O)ccc4cc(C(=O)O)ccc34)c(O)ccc2c1
InChIInChI=1S/C23H16O6/c24-12-29-16-4-6-18-14(10-16)3-8-22(26)20(18)11-19-17-5-1-15(23(27)28)9-13(17)2-7-21(19)25/h1-10,12,25-26H,11H2,(H,27,28)
InChIKeyIITZJTIFIYCGAL-UHFFFAOYSA-N
XLogP4.23
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid (CID 166589858) is 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid is O=COc1ccc2c(Cc3c(O)ccc4cc(C(=O)O)ccc34)c(O)ccc2c1.
What is the InChIKey of 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is IITZJTIFIYCGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O6/c24-12-29-16-4-6-18-14(10-16)3-8-22(26)20(18)11-19-17-5-1-15(23(27)28)9-13(17)2-7-21(19)25/h1-10,12,25-26H,11H2,(H,27,28).
What are the key properties of 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid?
5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 388.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 166589858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).