(2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

C18H15FO4 — CID 2538680

IUPAC(2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3ccccc3F)coc2c1
InChIInChI=1S/C18H15FO4/c1-21-14-6-7-15-13(11-22-17(15)9-14)8-18(20)23-10-12-4-2-3-5-16(12)19/h2-7,9,11H,8,10H2,1H3
InChIKeyZLUUTJVZRYVCIF-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.87
Rot. Bonds5

About (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

(2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2538680) has the molecular formula C18H15FO4 and a molecular weight of 314.31 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2538680
Molecular FormulaC18H15FO4
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name(2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3ccccc3F)coc2c1
InChIInChI=1S/C18H15FO4/c1-21-14-6-7-15-13(11-22-17(15)9-14)8-18(20)23-10-12-4-2-3-5-16(12)19/h2-7,9,11H,8,10H2,1H3
InChIKeyZLUUTJVZRYVCIF-UHFFFAOYSA-N
XLogP3.87
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2538680) is (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCc3ccccc3F)coc2c1.
What is the InChIKey of (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is ZLUUTJVZRYVCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO4/c1-21-14-6-7-15-13(11-22-17(15)9-14)8-18(20)23-10-12-4-2-3-5-16(12)19/h2-7,9,11H,8,10H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
(2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 314.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2538680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).