(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate

C17H14FNO4 — CID 7843015

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
SMILESCOc1ccc(COC(=O)COc2ccc(C#N)cc2)cc1F
InChIInChI=1S/C17H14FNO4/c1-21-16-7-4-13(8-15(16)18)10-23-17(20)11-22-14-5-2-12(9-19)3-6-14/h2-8H,10-11H2,1H3
InChIKeyNBCLIYZBXJQHHV-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.83
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate

(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate (PubChem CID 7843015) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
PubChem CID7843015
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
SMILESCOc1ccc(COC(=O)COc2ccc(C#N)cc2)cc1F
InChIInChI=1S/C17H14FNO4/c1-21-16-7-4-13(8-15(16)18)10-23-17(20)11-22-14-5-2-12(9-19)3-6-14/h2-8H,10-11H2,1H3
InChIKeyNBCLIYZBXJQHHV-UHFFFAOYSA-N
XLogP2.83
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679394
(4-methylsulfanylphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843363
(3-methylphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 9141415
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
(4-bromo-2,5-dimethoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 9140937
(4-cyanophenyl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804150
(3-fluoro-4-methoxyphenyl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18288272
(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate
CID 41383660
3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
CID 103760137
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
(3-fluoro-4-methoxyphenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907826
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate (CID 7843015) is (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate is COc1ccc(COC(=O)COc2ccc(C#N)cc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate?
The InChIKey is NBCLIYZBXJQHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-21-16-7-4-13(8-15(16)18)10-23-17(20)11-22-14-5-2-12(9-19)3-6-14/h2-8H,10-11H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate?
(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate has a molecular weight of 315.30 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 7843015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).