methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate

C15H13BrO6 — CID 2601508

IUPACmethyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)COc2ccc(Br)cc2)o1
InChIInChI=1S/C15H13BrO6/c1-19-15(18)13-7-6-12(22-13)8-21-14(17)9-20-11-4-2-10(16)3-5-11/h2-7H,8-9H2,1H3
InChIKeyVQAKMQBELZVVQG-UHFFFAOYSA-N
MW369.17 g/mol
LogP2.95
Rot. Bonds6

About methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate

methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate (PubChem CID 2601508) has the molecular formula C15H13BrO6 and a molecular weight of 369.17 g/mol. Its IUPAC name is methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate
PubChem CID2601508
Molecular FormulaC15H13BrO6
Molecular Weight369.17 g/mol
Exact Mass367.99
IUPAC Namemethyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)COc2ccc(Br)cc2)o1
InChIInChI=1S/C15H13BrO6/c1-19-15(18)13-7-6-12(22-13)8-21-14(17)9-20-11-4-2-10(16)3-5-11/h2-7H,8-9H2,1H3
InChIKeyVQAKMQBELZVVQG-UHFFFAOYSA-N
XLogP2.95
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate
CID 7997628
methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate
CID 8732589
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
(3,4,5-trimethoxyphenyl)methyl 2-(4-bromophenoxy)acetate
CID 9095645
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119628540
methyl 2-[4-[(4-bromophenyl)methylamino]phenoxy]acetate
CID 43676782
methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]phenoxy]acetate
CID 55779946
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[[2-(3-bromophenoxy)acetyl]oxymethyl]-3-methylfuran-2-carboxylate
CID 46600947
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate (CID 2601508) is methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)COc2ccc(Br)cc2)o1.
What is the InChIKey of methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate?
The InChIKey is VQAKMQBELZVVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO6/c1-19-15(18)13-7-6-12(22-13)8-21-14(17)9-20-11-4-2-10(16)3-5-11/h2-7H,8-9H2,1H3.
What are the key properties of methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate has a molecular weight of 369.17 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2601508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).