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

C18H13NO4 — CID 27148547

IUPAC1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCc2cc3ccccc3o2)cc1
InChIInChI=1S/C18H13NO4/c19-10-13-5-7-15(8-6-13)21-12-18(20)22-11-16-9-14-3-1-2-4-17(14)23-16/h1-9H,11-12H2
InChIKeyJRYOSGWPQKKETQ-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.43
Rot. Bonds5

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

1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate (PubChem CID 27148547) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate
PubChem CID27148547
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCc2cc3ccccc3o2)cc1
InChIInChI=1S/C18H13NO4/c19-10-13-5-7-15(8-6-13)21-12-18(20)22-11-16-9-14-3-1-2-4-17(14)23-16/h1-9H,11-12H2
InChIKeyJRYOSGWPQKKETQ-UHFFFAOYSA-N
XLogP3.43
TPSA72.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
CID 134026431
N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26847603
(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
CID 4095400
1-benzofuran-2-ylmethyl 2-pentoxyacetate
CID 86871484
N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 86994457
(3-methylphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 9141415
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284
(3-cyanophenyl)methyl 2-(4-phenylphenoxy)acetate
CID 9140499
ethyl (E)-3-[2-(1-benzofuran-2-yl)-1-(4-cyanophenyl)ethoxy]prop-2-enoate
CID 102366516
(4-methylsulfanylphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843363
(3-chloro-1-benzothiophen-2-yl)methyl 2-(4-cyanophenoxy)acetate
CID 24557565

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate?
The IUPAC name of 1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate (CID 27148547) is 1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for 1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate?
The canonical SMILES for 1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate is N#Cc1ccc(OCC(=O)OCc2cc3ccccc3o2)cc1.
What is the InChIKey of 1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate?
The InChIKey is JRYOSGWPQKKETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c19-10-13-5-7-15(8-6-13)21-12-18(20)22-11-16-9-14-3-1-2-4-17(14)23-16/h1-9H,11-12H2.
What are the key properties of 1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate?
1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate has a molecular weight of 307.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 27148547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).