methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate

C16H15BrO6 — CID 55516580

IUPACmethyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C16H15BrO6/c1-10(23-12-5-3-11(17)4-6-12)15(18)22-9-14-13(7-8-21-14)16(19)20-2/h3-8,10H,9H2,1-2H3
InChIKeyPNFPWXIDPYQFLU-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.34
Rot. Bonds6

About methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate

methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate (PubChem CID 55516580) has the molecular formula C16H15BrO6 and a molecular weight of 383.19 g/mol. Its IUPAC name is methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate
PubChem CID55516580
Molecular FormulaC16H15BrO6
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC Namemethyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C16H15BrO6/c1-10(23-12-5-3-11(17)4-6-12)15(18)22-9-14-13(7-8-21-14)16(19)20-2/h3-8,10H,9H2,1-2H3
InChIKeyPNFPWXIDPYQFLU-UHFFFAOYSA-N
XLogP3.34
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate
CID 66217884
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
(4-cyanophenyl)methyl (2R)-2-(4-bromophenoxy)propanoate
CID 7754814
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
methyl 2-propylfuran-3-carboxylate
CID 15686850
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 51415222
methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate
CID 42899505
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7742947
methyl 4-[[(2R)-2-(4-acetylphenoxy)propanoyl]oxymethyl]benzoate
CID 41050247
methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate
CID 24626688

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate (CID 55516580) is methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1COC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate?
The InChIKey is PNFPWXIDPYQFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO6/c1-10(23-12-5-3-11(17)4-6-12)15(18)22-9-14-13(7-8-21-14)16(19)20-2/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate?
methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate has a molecular weight of 383.19 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate is sourced from PubChem (CID 55516580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).