methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate

C20H15Cl2FO4 — CID 143316139

IUPACmethyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2Cl)o1
InChIInChI=1S/C20H15Cl2FO4/c1-25-20(24)19-7-5-16(27-19)9-13-8-14(21)3-6-18(13)26-11-12-2-4-15(23)10-17(12)22/h2-8,10H,9,11H2,1H3
InChIKeyNPHHNLQJBHYFCT-UHFFFAOYSA-N
MW409.24 g/mol
LogP5.68
Rot. Bonds6

About methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate

methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate (PubChem CID 143316139) has the molecular formula C20H15Cl2FO4 and a molecular weight of 409.24 g/mol. Its IUPAC name is methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
PubChem CID143316139
Molecular FormulaC20H15Cl2FO4
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC Namemethyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2Cl)o1
InChIInChI=1S/C20H15Cl2FO4/c1-25-20(24)19-7-5-16(27-19)9-13-8-14(21)3-6-18(13)26-11-12-2-4-15(23)10-17(12)22/h2-8,10H,9,11H2,1H3
InChIKeyNPHHNLQJBHYFCT-UHFFFAOYSA-N
XLogP5.68
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.24
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667794
5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 59845812
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
sodium 5-[[5-chloro-2-[(3,4,5-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667798
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
CID 46779766
methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
CID 112787676
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 15605179
methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
N-tert-butyl-5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 15605115
methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate
CID 71024238
5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide
CID 15605379
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate (CID 143316139) is methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2Cl)o1.
What is the InChIKey of methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
The InChIKey is NPHHNLQJBHYFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FO4/c1-25-20(24)19-7-5-16(27-19)9-13-8-14(21)3-6-18(13)26-11-12-2-4-15(23)10-17(12)22/h2-8,10H,9,11H2,1H3.
What are the key properties of methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate has a molecular weight of 409.24 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate is sourced from PubChem (CID 143316139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).