1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate

C17H13FO4 — CID 134026431

IUPAC1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1)OCc1cc2ccccc2o1
InChIInChI=1S/C17H13FO4/c18-13-5-7-14(8-6-13)20-11-17(19)21-10-15-9-12-3-1-2-4-16(12)22-15/h1-9H,10-11H2
InChIKeySBYKINYNAYXPAT-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.69
Rot. Bonds5

About 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate

1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate (PubChem CID 134026431) has the molecular formula C17H13FO4 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
PubChem CID134026431
Molecular FormulaC17H13FO4
Molecular Weight300.29 g/mol
Exact Mass300.08
IUPAC Name1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1)OCc1cc2ccccc2o1
InChIInChI=1S/C17H13FO4/c18-13-5-7-14(8-6-13)20-11-17(19)21-10-15-9-12-3-1-2-4-16(12)22-15/h1-9H,10-11H2
InChIKeySBYKINYNAYXPAT-UHFFFAOYSA-N
XLogP3.69
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate
CID 27148547
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
1-benzofuran-2-ylmethyl 2-pentoxyacetate
CID 86871484
1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284
(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321388
(2-chloroquinolin-3-yl)methyl 2-(4-fluorophenoxy)acetate
CID 9458328
1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 34155699
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
1-benzofuran-2-ylmethyl 4-acetylbenzoate
CID 86933494
1-benzofuran-2-ylmethyl formate
CID 18617223
(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate
CID 41383660
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-naphthalen-2-yloxyacetate
CID 8741934

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate?
The IUPAC name of 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate (CID 134026431) is 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate?
The canonical SMILES for 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate is O=C(COc1ccc(F)cc1)OCc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate?
The InChIKey is SBYKINYNAYXPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4/c18-13-5-7-14(8-6-13)20-11-17(19)21-10-15-9-12-3-1-2-4-16(12)22-15/h1-9H,10-11H2.
What are the key properties of 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate?
1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate has a molecular weight of 300.29 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 134026431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).