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

C14H10ClNO4 — CID 31125107

IUPACmethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H10ClNO4/c1-18-14(17)10-4-5-19-13(10)8-20-12-3-2-9(7-16)6-11(12)15/h2-6H,8H2,1H3
InChIKeyQBWJTDLJZVOJHZ-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.17
Rot. Bonds4

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

methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate (PubChem CID 31125107) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
PubChem CID31125107
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Namemethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H10ClNO4/c1-18-14(17)10-4-5-19-13(10)8-20-12-3-2-9(7-16)6-11(12)15/h2-6H,8H2,1H3
InChIKeyQBWJTDLJZVOJHZ-UHFFFAOYSA-N
XLogP3.17
TPSA72.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 39969066
2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
CID 63575233
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
methyl 2-chloro-5-cyanobenzoate
CID 16659388
methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
CID 55512098
methyl 2-[[2-(methylaminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484655
2-[(2-chloro-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394454
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate
CID 31120011
3-(2-chloro-4-cyanophenoxy)-2-methylpropanoic acid
CID 43538064
methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909153

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate (CID 31125107) is methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate is COC(=O)c1ccoc1COc1ccc(C#N)cc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate?
The InChIKey is QBWJTDLJZVOJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c1-18-14(17)10-4-5-19-13(10)8-20-12-3-2-9(7-16)6-11(12)15/h2-6H,8H2,1H3.
What are the key properties of methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate?
methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate has a molecular weight of 291.69 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate is sourced from PubChem (CID 31125107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).