5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde

C21H14O3 — CID 169334590

IUPAC5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Oc3ccc4ccccc4c3)cc2)o1
InChIInChI=1S/C21H14O3/c22-14-20-11-12-21(24-20)16-6-8-18(9-7-16)23-19-10-5-15-3-1-2-4-17(15)13-19/h1-14H
InChIKeyCRCSHRCMSBBMJO-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.70
Rot. Bonds4

About 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde

5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde (PubChem CID 169334590) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde
PubChem CID169334590
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Oc3ccc4ccccc4c3)cc2)o1
InChIInChI=1S/C21H14O3/c22-14-20-11-12-21(24-20)16-6-8-18(9-7-16)23-19-10-5-15-3-1-2-4-17(15)13-19/h1-14H
InChIKeyCRCSHRCMSBBMJO-UHFFFAOYSA-N
XLogP5.70
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile
CID 169331994
5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169334086
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-acridin-2-ylfuran-2-carbaldehyde
CID 169333174
5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde
CID 169333226
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
furan;5-phenylfuran-2-carbaldehyde
CID 175007564
5-(3-pyridin-2-yloxyphenyl)furan-2-carbaldehyde
CID 169333182
5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169333082
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 169332736
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde (CID 169334590) is 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(Oc3ccc4ccccc4c3)cc2)o1.
What is the InChIKey of 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde?
The InChIKey is CRCSHRCMSBBMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-14-20-11-12-21(24-20)16-6-8-18(9-7-16)23-19-10-5-15-3-1-2-4-17(15)13-19/h1-14H.
What are the key properties of 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde?
5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde has a molecular weight of 314.34 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169334590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).