(2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate

C15H15BrO5 — CID 78888306

IUPAC(2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)c2oc(Br)cc2C)c1
InChIInChI=1S/C15H15BrO5/c1-9-6-13(16)21-14(9)15(17)20-8-10-7-11(18-2)4-5-12(10)19-3/h4-7H,8H2,1-3H3
InChIKeyKQSQWCCGHPKHNZ-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.72
Rot. Bonds5

About (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate

(2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate (PubChem CID 78888306) has the molecular formula C15H15BrO5 and a molecular weight of 355.18 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate
PubChem CID78888306
Molecular FormulaC15H15BrO5
Molecular Weight355.18 g/mol
Exact Mass354.01
IUPAC Name(2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)c2oc(Br)cc2C)c1
InChIInChI=1S/C15H15BrO5/c1-9-6-13(16)21-14(9)15(17)20-8-10-7-11(18-2)4-5-12(10)19-3/h4-7H,8H2,1-3H3
InChIKeyKQSQWCCGHPKHNZ-UHFFFAOYSA-N
XLogP3.72
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
CID 78815298
(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8858351
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
2-O-[(2,5-dimethoxyphenyl)methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8572870
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2,5-dimethoxybenzoate
CID 7561182
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918
(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate
CID 65326650
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate
CID 150562472
(2,5-dimethoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate
CID 8647442

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate (CID 78888306) is (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate is COc1ccc(OC)c(COC(=O)c2oc(Br)cc2C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate?
The InChIKey is KQSQWCCGHPKHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO5/c1-9-6-13(16)21-14(9)15(17)20-8-10-7-11(18-2)4-5-12(10)19-3/h4-7H,8H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate?
(2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate has a molecular weight of 355.18 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate is sourced from PubChem (CID 78888306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).