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

C15H16O5 — CID 78815298

IUPAC(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)c2ccoc2C)c1
InChIInChI=1S/C15H16O5/c1-10-13(6-7-19-10)15(16)20-9-11-8-12(17-2)4-5-14(11)18-3/h4-8H,9H2,1-3H3
InChIKeyYHCJELOUXSMDAJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.96
Rot. Bonds5

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

(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate (PubChem CID 78815298) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
PubChem CID78815298
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)c2ccoc2C)c1
InChIInChI=1S/C15H16O5/c1-10-13(6-7-19-10)15(16)20-9-11-8-12(17-2)4-5-14(11)18-3/h4-8H,9H2,1-3H3
InChIKeyYHCJELOUXSMDAJ-UHFFFAOYSA-N
XLogP2.96
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918
(2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate
CID 78888306
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide
CID 8615856
(2,5-dimethoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate
CID 8647442
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 27625804
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358
2-O-[(2,5-dimethoxyphenyl)methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8572870
trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 99588473

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate (CID 78815298) is (2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate is COc1ccc(OC)c(COC(=O)c2ccoc2C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate?
The InChIKey is YHCJELOUXSMDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-10-13(6-7-19-10)15(16)20-9-11-8-12(17-2)4-5-14(11)18-3/h4-8H,9H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate?
(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 2.96, 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 2-methylfuran-3-carboxylate is sourced from PubChem (CID 78815298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).