ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate

C15H12ClNO4 — CID 39969066

IUPACethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H12ClNO4/c1-2-19-15(18)11-5-6-20-14(11)9-21-13-4-3-10(8-17)7-12(13)16/h3-7H,2,9H2,1H3
InChIKeyGAEGQYBXWOCJJJ-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.56
Rot. Bonds5

About ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate

ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate (PubChem CID 39969066) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
PubChem CID39969066
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Nameethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H12ClNO4/c1-2-19-15(18)11-5-6-20-14(11)9-21-13-4-3-10(8-17)7-12(13)16/h3-7H,2,9H2,1H3
InChIKeyGAEGQYBXWOCJJJ-UHFFFAOYSA-N
XLogP3.56
TPSA72.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 31125107
2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
CID 63575233
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate
CID 11298725
ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
CID 31536724
ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909106
ethyl 6-[(2-chloro-4-cyanophenoxy)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24578184
ethyl 2-(2-chloro-4-cyanophenoxy)butanoate
CID 60667384
ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate
CID 79356473
3-chloro-4-[2-(2-methylphenyl)-2-oxoethoxy]benzonitrile
CID 60971514

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate (CID 39969066) is ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1COc1ccc(C#N)cc1Cl.
What is the InChIKey of ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate?
The InChIKey is GAEGQYBXWOCJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-2-19-15(18)11-5-6-20-14(11)9-21-13-4-3-10(8-17)7-12(13)16/h3-7H,2,9H2,1H3.
What are the key properties of ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate?
ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate has a molecular weight of 305.72 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate is sourced from PubChem (CID 39969066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).