(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate

C15H16O4 — CID 78789323

IUPAC(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCOc1cccc(COC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C15H16O4/c1-10-7-14(11(2)19-10)15(16)18-9-12-5-4-6-13(8-12)17-3/h4-8H,9H2,1-3H3
InChIKeyYLNOTHXZPUWBBW-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.26
Rot. Bonds4

About (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate

(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate (PubChem CID 78789323) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
PubChem CID78789323
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCOc1cccc(COC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C15H16O4/c1-10-7-14(11(2)19-10)15(16)18-9-12-5-4-6-13(8-12)17-3/h4-8H,9H2,1-3H3
InChIKeyYLNOTHXZPUWBBW-UHFFFAOYSA-N
XLogP3.26
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 8860099
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate
CID 24557435
(3-methoxyphenyl)methyl 2-amino-3-bromobenzoate
CID 61235590
(3-methoxyphenyl)methyl 2-fluoro-5-sulfanylbenzoate
CID 107018266
(3-methoxyphenyl)methyl 3-amino-4-methylbenzoate
CID 60730922
methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60649742
(3-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929160
(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 32713086
(3-bromophenyl)methyl 2-amino-4-methoxybenzoate
CID 115281028
(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 16570421
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate (CID 78789323) is (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate is COc1cccc(COC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate?
The InChIKey is YLNOTHXZPUWBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10-7-14(11(2)19-10)15(16)18-9-12-5-4-6-13(8-12)17-3/h4-8H,9H2,1-3H3.
What are the key properties of (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate?
(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 78789323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).