methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate

C14H12BrClO4 — CID 79084422

IUPACmethyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Oc2cc(Br)ccc2Cl)o1
InChIInChI=1S/C14H12BrClO4/c1-8(11-5-6-12(20-11)14(17)18-2)19-13-7-9(15)3-4-10(13)16/h3-8H,1-2H3
InChIKeyREMQMQXPYHRHPR-UHFFFAOYSA-N
MW359.60 g/mol
LogP4.62
Rot. Bonds4

About methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate

methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate (PubChem CID 79084422) has the molecular formula C14H12BrClO4 and a molecular weight of 359.60 g/mol. Its IUPAC name is methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate
PubChem CID79084422
Molecular FormulaC14H12BrClO4
Molecular Weight359.60 g/mol
Exact Mass357.96
IUPAC Namemethyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Oc2cc(Br)ccc2Cl)o1
InChIInChI=1S/C14H12BrClO4/c1-8(11-5-6-12(20-11)14(17)18-2)19-13-7-9(15)3-4-10(13)16/h3-8H,1-2H3
InChIKeyREMQMQXPYHRHPR-UHFFFAOYSA-N
XLogP4.62
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylic acid
CID 79084510
methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate
CID 79084765
methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate
CID 79084598
methyl 5-[1-(3-bromo-4-fluorophenoxy)ethyl]furan-2-carboxylate
CID 83231703
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[2-(3-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106947176
methyl 5-[1-(2-nitrophenoxy)ethyl]furan-2-carboxylate
CID 79085289
methyl 5-[2-(4-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106946976
methyl 5-[(3,4-dichlorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945920
methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate
CID 79085923
methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate
CID 79086049
methyl 5-[1-(4-bromo-2-cyanoanilino)ethyl]furan-2-carboxylate
CID 103261890

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate (CID 79084422) is methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)Oc2cc(Br)ccc2Cl)o1.
What is the InChIKey of methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate?
The InChIKey is REMQMQXPYHRHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO4/c1-8(11-5-6-12(20-11)14(17)18-2)19-13-7-9(15)3-4-10(13)16/h3-8H,1-2H3.
What are the key properties of methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate?
methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate has a molecular weight of 359.60 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate is sourced from PubChem (CID 79084422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).