5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde

C22H14O4 — CID 59034797

IUPAC5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(-c3c(O)ccc4cc(C=O)ccc34)c(O)ccc2c1
InChIInChI=1S/C22H14O4/c23-11-13-1-5-17-15(9-13)3-7-19(25)21(17)22-18-6-2-14(12-24)10-16(18)4-8-20(22)26/h1-12,25-26H
InChIKeyBFXFHYYEOAFBJC-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.70
Rot. Bonds3

About 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde

5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde (PubChem CID 59034797) has the molecular formula C22H14O4 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde
PubChem CID59034797
Molecular FormulaC22H14O4
Molecular Weight342.35 g/mol
Exact Mass342.09
IUPAC Name5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(-c3c(O)ccc4cc(C=O)ccc34)c(O)ccc2c1
InChIInChI=1S/C22H14O4/c23-11-13-1-5-17-15(9-13)3-7-19(25)21(17)22-18-6-2-14(12-24)10-16(18)4-8-20(22)26/h1-12,25-26H
InChIKeyBFXFHYYEOAFBJC-UHFFFAOYSA-N
XLogP4.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-2,6-dicarbaldehyde
CID 159038637
ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate
CID 59034792
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde
CID 59942998
hexahelicene-2,15-dicarbaldehyde
CID 10667716
2-[3-[(E)-2-[5-[6-[(E)-2-[9,10-bis(dicyanomethylidene)anthracen-2-yl]ethenyl]-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]ethenyl]-10-(dicyanomethylidene)anthracen-9-ylidene]propanedinitrile
CID 102343790
4-hydroxynaphthalene-2-carbaldehyde
CID 22498210
5-bromonaphthalene-2-carbaldehyde
CID 2750349
6-methoxy-5-methylnaphthalene-2-carbaldehyde
CID 58518906
1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde
CID 88868066
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
3,4-dideuteriooxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 158431021

Frequently Asked Questions

What is the IUPAC name of 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde?
The IUPAC name of 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde (CID 59034797) is 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde?
The canonical SMILES for 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde is O=Cc1ccc2c(-c3c(O)ccc4cc(C=O)ccc34)c(O)ccc2c1.
What is the InChIKey of 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde?
The InChIKey is BFXFHYYEOAFBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O4/c23-11-13-1-5-17-15(9-13)3-7-19(25)21(17)22-18-6-2-14(12-24)10-16(18)4-8-20(22)26/h1-12,25-26H.
What are the key properties of 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde?
5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde has a molecular weight of 342.35 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 59034797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).