propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate

C15H13ClO4 — CID 2271723

IUPACpropyl 2-chloro-5-(5-formylfuran-2-yl)benzoate
SMILESCCCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl
InChIInChI=1S/C15H13ClO4/c1-2-7-19-15(18)12-8-10(3-5-13(12)16)14-6-4-11(9-17)20-14/h3-6,8-9H,2,7H2,1H3
InChIKeyGHMQUAUOXDPEIX-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.98
Rot. Bonds5

About propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate

propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate (PubChem CID 2271723) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate.

Molecular Properties

Compound Namepropyl 2-chloro-5-(5-formylfuran-2-yl)benzoate
PubChem CID2271723
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Namepropyl 2-chloro-5-(5-formylfuran-2-yl)benzoate
SMILESCCCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl
InChIInChI=1S/C15H13ClO4/c1-2-7-19-15(18)12-8-10(3-5-13(12)16)14-6-4-11(9-17)20-14/h3-6,8-9H,2,7H2,1H3
InChIKeyGHMQUAUOXDPEIX-UHFFFAOYSA-N
XLogP3.98
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.98
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 propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate?
The IUPAC name of propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate (CID 2271723) is propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate.
What is the SMILES notation for propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate?
The canonical SMILES for propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate is CCCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl.
What is the InChIKey of propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate?
The InChIKey is GHMQUAUOXDPEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-2-7-19-15(18)12-8-10(3-5-13(12)16)14-6-4-11(9-17)20-14/h3-6,8-9H,2,7H2,1H3.
What are the key properties of propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate?
propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate has a molecular weight of 292.72 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-chloro-5-(5-formylfuran-2-yl)benzoate is sourced from PubChem (CID 2271723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).