ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate

C15H13BrO6 — CID 16525393

IUPACethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrO6/c1-2-20-14(18)10-5-6-21-13(10)8-22-15(19)11-7-9(16)3-4-12(11)17/h3-7,17H,2,8H2,1H3
InChIKeyLDIINZCKJSRYFM-UHFFFAOYSA-N
MW369.17 g/mol
LogP3.28
Rot. Bonds5

About ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate

ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate (PubChem CID 16525393) has the molecular formula C15H13BrO6 and a molecular weight of 369.17 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate
PubChem CID16525393
Molecular FormulaC15H13BrO6
Molecular Weight369.17 g/mol
Exact Mass367.99
IUPAC Nameethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrO6/c1-2-20-14(18)10-5-6-21-13(10)8-22-15(19)11-7-9(16)3-4-12(11)17/h3-7,17H,2,8H2,1H3
InChIKeyLDIINZCKJSRYFM-UHFFFAOYSA-N
XLogP3.28
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786463
(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786444
ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate
CID 11298725
ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate
CID 71853174
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909106
ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate
CID 39903274
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate
CID 139223715
ethyl 5-bromo-2-(3-bromopropyl)benzoate
CID 134633528
ethyl 2-[(4-amino-2-bromophenyl)sulfanylmethyl]furan-3-carboxylate
CID 82841021

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate (CID 16525393) is ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate is CCOC(=O)c1ccoc1COC(=O)c1cc(Br)ccc1O.
What is the InChIKey of ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate?
The InChIKey is LDIINZCKJSRYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO6/c1-2-20-14(18)10-5-6-21-13(10)8-22-15(19)11-7-9(16)3-4-12(11)17/h3-7,17H,2,8H2,1H3.
What are the key properties of ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate?
ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate has a molecular weight of 369.17 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 16525393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).