propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate

C15H13ClO4 — CID 169332455

IUPACpropan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate
SMILESCC(C)OC(=O)c1ccc(Cl)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C15H13ClO4/c1-9(2)19-15(18)10-3-5-13(16)12(7-10)14-6-4-11(8-17)20-14/h3-9H,1-2H3
InChIKeyJUQCUMYGELNPJA-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.98
Rot. Bonds4

About propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate

propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate (PubChem CID 169332455) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate
PubChem CID169332455
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Namepropan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate
SMILESCC(C)OC(=O)c1ccc(Cl)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C15H13ClO4/c1-9(2)19-15(18)10-3-5-13(16)12(7-10)14-6-4-11(8-17)20-14/h3-9H,1-2H3
InChIKeyJUQCUMYGELNPJA-UHFFFAOYSA-N
XLogP3.98
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

propan-2-yl 3-chloro-4-(5-formylfuran-2-yl)benzoate
CID 94675113
propan-2-yl 4-(5-formylfuran-2-yl)benzoate
CID 17274103
propan-2-yl 4-[4-(5-formylfuran-2-yl)phenyl]benzoate
CID 169333865
5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332180
propan-2-yl 3-chloro-4-hydroxybenzoate
CID 60643108
tert-butyl N-[4-chloro-3-(5-formylfuran-2-yl)phenyl]carbamate
CID 169334093
propan-2-yl 2-chloro-5-[5-[(E)-[(E)-[5-(4-chloro-3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidenehydrazinylidene]methyl]furan-2-yl]benzoate
CID 50885105
propan-2-yl 3-amino-4-chlorobenzoate;hydrochloride
CID 132648281
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
4-chloro-3-(5-formylfuran-2-yl)benzonitrile
CID 99965456
ethyl 4-cyano-3-(5-formylfuran-2-yl)benzoate
CID 129188281
methyl 4-chloro-3-[5-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126002913

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate?
The IUPAC name of propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate (CID 169332455) is propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate.
What is the SMILES notation for propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate?
The canonical SMILES for propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate is CC(C)OC(=O)c1ccc(Cl)c(-c2ccc(C=O)o2)c1.
What is the InChIKey of propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate?
The InChIKey is JUQCUMYGELNPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-9(2)19-15(18)10-3-5-13(16)12(7-10)14-6-4-11(8-17)20-14/h3-9H,1-2H3.
What are the key properties of propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate?
propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate has a molecular weight of 292.72 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate is sourced from PubChem (CID 169332455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).