methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate

C15H15BrO4 — CID 79084765

IUPACmethyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Oc2ccc(Br)cc2C)o1
InChIInChI=1S/C15H15BrO4/c1-9-8-11(16)4-5-12(9)19-10(2)13-6-7-14(20-13)15(17)18-3/h4-8,10H,1-3H3
InChIKeyLEUQVXPVUMUOAB-UHFFFAOYSA-N
MW339.19 g/mol
LogP4.28
Rot. Bonds4

About methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate

methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate (PubChem CID 79084765) has the molecular formula C15H15BrO4 and a molecular weight of 339.19 g/mol. Its IUPAC name is methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate
PubChem CID79084765
Molecular FormulaC15H15BrO4
Molecular Weight339.19 g/mol
Exact Mass338.02
IUPAC Namemethyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Oc2ccc(Br)cc2C)o1
InChIInChI=1S/C15H15BrO4/c1-9-8-11(16)4-5-12(9)19-10(2)13-6-7-14(20-13)15(17)18-3/h4-8,10H,1-3H3
InChIKeyLEUQVXPVUMUOAB-UHFFFAOYSA-N
XLogP4.28
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylate
CID 79084422
methyl 5-[1-(3-bromo-4-fluorophenoxy)ethyl]furan-2-carboxylate
CID 83231703
5-[1-(4-chloro-2-methylphenoxy)ethyl]furan-2-carboxylic acid
CID 79084151
5-[1-(4-bromo-2,6-dimethylphenoxy)ethyl]furan-2-carboxylic acid
CID 20984623
5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylic acid
CID 79084510
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
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-[1-(4-bromo-2-cyanoanilino)ethyl]furan-2-carboxylate
CID 103261890
methyl 5-[2-(4-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106946976
5-[1-(2-bromo-4-methoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 20984610
methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate
CID 79085923

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate (CID 79084765) is methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)Oc2ccc(Br)cc2C)o1.
What is the InChIKey of methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate?
The InChIKey is LEUQVXPVUMUOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO4/c1-9-8-11(16)4-5-12(9)19-10(2)13-6-7-14(20-13)15(17)18-3/h4-8,10H,1-3H3.
What are the key properties of methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate?
methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate has a molecular weight of 339.19 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate is sourced from PubChem (CID 79084765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).