methyl 5-[2-methoxy-4-(prop-2-en-1-yl)phenoxymethyl]furan-2-carboxylate

• ChemBase ID: 185739
• Molecular Formular: C17H18O5
• Molecular Mass: 302.32182
• Monoisotopic Mass: 302.11542368
• SMILES: c1(oc(cc1)COc1c(cc(cc1)CC=C)OC)C(=O)OC
• Canonical SMILES: C=CCc1ccc(c(c1)OC)OCc1ccc(o1)C(=O)OC
• InChI: InChI=1S/C17H18O5/c1-4-5-12-6-8-14(16(10-12)19-2)21-11-13-7-9-15(22-13)17(18)20-3/h4,6-10H,1,5,11H2,2-3H3
• InChIKey: GGYXHRCVINNPKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-[2-methoxy-4-(prop-2-en-1-yl)phenoxymethyl]furan-2-carboxylate
• IUPAC Traditional name: methyl 5-[2-methoxy-4-(prop-2-en-1-yl)phenoxymethyl]furan-2-carboxylate

Database IDs

• PubChem SID: 164241649
• PubChem CID: 738498

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4646719
• LogD (pH = 7.4): 3.4646719
• Log P: 3.4646719
• Molar Refractivity: 82.178 cm^3
• Polarizability: 31.54387 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds