4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde

C22H14O4 — CID 11056994

IUPAC4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2c(-c2c(O)c(C=O)cc3ccccc23)c1O
InChIInChI=1S/C22H14O4/c23-11-15-9-13-5-1-3-7-17(13)19(21(15)25)20-18-8-4-2-6-14(18)10-16(12-24)22(20)26/h1-12,25-26H
InChIKeyDENRDANQMQOFEU-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.70
Rot. Bonds3

About 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde

4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde (PubChem CID 11056994) has the molecular formula C22H14O4 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde
PubChem CID11056994
Molecular FormulaC22H14O4
Molecular Weight342.35 g/mol
Exact Mass342.09
IUPAC Name4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2c(-c2c(O)c(C=O)cc3ccccc23)c1O
InChIInChI=1S/C22H14O4/c23-11-15-9-13-5-1-3-7-17(13)19(21(15)25)20-18-8-4-2-6-14(18)10-16(12-24)22(20)26/h1-12,25-26H
InChIKeyDENRDANQMQOFEU-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde?
The IUPAC name of 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde (CID 11056994) is 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde?
The canonical SMILES for 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde is O=Cc1cc2ccccc2c(-c2c(O)c(C=O)cc3ccccc23)c1O.
What is the InChIKey of 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde?
The InChIKey is DENRDANQMQOFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O4/c23-11-15-9-13-5-1-3-7-17(13)19(21(15)25)20-18-8-4-2-6-14(18)10-16(12-24)22(20)26/h1-12,25-26H.
What are the key properties of 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde?
4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-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 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 11056994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).