methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate

C14H12ClFO4 — CID 79084598

IUPACmethyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Oc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C14H12ClFO4/c1-8(12-5-6-13(20-12)14(17)18-2)19-9-3-4-11(16)10(15)7-9/h3-8H,1-2H3
InChIKeyKUZPUOINZRLZNX-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.00
Rot. Bonds4

About methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate

methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate (PubChem CID 79084598) has the molecular formula C14H12ClFO4 and a molecular weight of 298.70 g/mol. Its IUPAC name is methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate
PubChem CID79084598
Molecular FormulaC14H12ClFO4
Molecular Weight298.70 g/mol
Exact Mass298.04
IUPAC Namemethyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Oc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C14H12ClFO4/c1-8(12-5-6-13(20-12)14(17)18-2)19-9-3-4-11(16)10(15)7-9/h3-8H,1-2H3
InChIKeyKUZPUOINZRLZNX-UHFFFAOYSA-N
XLogP4.00
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-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

methyl 5-[1-(3-bromo-4-fluorophenoxy)ethyl]furan-2-carboxylate
CID 83231703
methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate
CID 79085923
methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate
CID 79084422
methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate
CID 79086049
methyl 5-[1-(2,4-dichloroanilino)ethyl]furan-2-carboxylate
CID 103232280
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate
CID 103243613
methyl 5-[(4-chloro-3-fluorophenyl)-(methylamino)methyl]furan-2-carboxylate
CID 107998878
methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
CID 82003998
methyl 5-[(3,4-difluorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945966
methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
CID 43402742
methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945940

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate (CID 79084598) is methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)Oc2ccc(F)c(Cl)c2)o1.
What is the InChIKey of methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate?
The InChIKey is KUZPUOINZRLZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO4/c1-8(12-5-6-13(20-12)14(17)18-2)19-9-3-4-11(16)10(15)7-9/h3-8H,1-2H3.
What are the key properties of methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate?
methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate has a molecular weight of 298.70 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate is sourced from PubChem (CID 79084598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).