5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde

C15H14ClNO3 — CID 169334108

IUPAC5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Cl)c2N2CCOCC2)o1
InChIInChI=1S/C15H14ClNO3/c16-13-3-1-2-12(14-5-4-11(10-18)20-14)15(13)17-6-8-19-9-7-17/h1-5,10H,6-9H2
InChIKeyHNOVNPXLICFFGW-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.25
Rot. Bonds3

About 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde

5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde (PubChem CID 169334108) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde
PubChem CID169334108
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Cl)c2N2CCOCC2)o1
InChIInChI=1S/C15H14ClNO3/c16-13-3-1-2-12(14-5-4-11(10-18)20-14)15(13)17-6-8-19-9-7-17/h1-5,10H,6-9H2
InChIKeyHNOVNPXLICFFGW-UHFFFAOYSA-N
XLogP3.25
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.25
H-Bond Donors ≤ 50
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 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde (CID 169334108) is 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(Cl)c2N2CCOCC2)o1.
What is the InChIKey of 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde?
The InChIKey is HNOVNPXLICFFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-13-3-1-2-12(14-5-4-11(10-18)20-14)15(13)17-6-8-19-9-7-17/h1-5,10H,6-9H2.
What are the key properties of 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde?
5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde has a molecular weight of 291.73 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169334108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).