propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate

C18H19ClO6 — CID 28913618

IUPACpropan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
SMILESCCOc1cc(C=O)cc(Cl)c1OCc1ccc(C(=O)OC(C)C)o1
InChIInChI=1S/C18H19ClO6/c1-4-22-16-8-12(9-20)7-14(19)17(16)23-10-13-5-6-15(25-13)18(21)24-11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyVDTGSSIAHMAGTJ-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.29
Rot. Bonds8

About propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate

propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate (PubChem CID 28913618) has the molecular formula C18H19ClO6 and a molecular weight of 366.80 g/mol. Its IUPAC name is propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
PubChem CID28913618
Molecular FormulaC18H19ClO6
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Namepropan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
SMILESCCOc1cc(C=O)cc(Cl)c1OCc1ccc(C(=O)OC(C)C)o1
InChIInChI=1S/C18H19ClO6/c1-4-22-16-8-12(9-20)7-14(19)17(16)23-10-13-5-6-15(25-13)18(21)24-11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyVDTGSSIAHMAGTJ-UHFFFAOYSA-N
XLogP4.29
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 5-[(2-chloro-4-formyl-6-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913606
propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
CID 19578393
ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913579
propan-2-yl 5-[(2-bromo-3-formyl-6-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913596
3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]benzaldehyde
CID 22684417
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913576
methyl 5-[[(4Z)-4-[(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 124550561
3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 22680981
propan-2-yl 5-chloro-2,3,4-triethoxybenzoate
CID 96709827
methyl 5-[(2-ethoxy-4-methanehydrazonoylphenoxy)methyl]furan-2-carboxylate
CID 78678985
methyl 5-[(2-bromo-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913563

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate (CID 28913618) is propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate is CCOc1cc(C=O)cc(Cl)c1OCc1ccc(C(=O)OC(C)C)o1.
What is the InChIKey of propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate?
The InChIKey is VDTGSSIAHMAGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO6/c1-4-22-16-8-12(9-20)7-14(19)17(16)23-10-13-5-6-15(25-13)18(21)24-11(2)3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate?
propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate has a molecular weight of 366.80 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 28913618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).