(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate

C16H12FNO3 — CID 41383660

IUPAC(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate
SMILESN#Cc1cccc(COC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C16H12FNO3/c17-14-4-6-15(7-5-14)20-11-16(19)21-10-13-3-1-2-12(8-13)9-18/h1-8H,10-11H2
InChIKeyDHWDFZADAOKCJY-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.82
Rot. Bonds5

About (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate

(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate (PubChem CID 41383660) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate
PubChem CID41383660
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate
SMILESN#Cc1cccc(COC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C16H12FNO3/c17-14-4-6-15(7-5-14)20-11-16(19)21-10-13-3-1-2-12(8-13)9-18/h1-8H,10-11H2
InChIKeyDHWDFZADAOKCJY-UHFFFAOYSA-N
XLogP2.82
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyanophenyl)methyl 2-(4-phenylphenoxy)acetate
CID 9140499
(3-cyanophenyl)methyl 2-(4-propanoylphenoxy)acetate
CID 7855036
(3-methylphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 9141415
(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321388
(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843015
3-[3-(4-fluorophenyl)-2-oxopropoxy]benzonitrile
CID 62030654
(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
CID 62499042
3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
(3-cyanophenyl)methyl 4-(2-chlorophenoxy)-3-oxobutanoate
CID 68850934
(4-methylsulfanylphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843363
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791469
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate?
The IUPAC name of (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate (CID 41383660) is (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate?
The canonical SMILES for (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate is N#Cc1cccc(COC(=O)COc2ccc(F)cc2)c1.
What is the InChIKey of (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate?
The InChIKey is DHWDFZADAOKCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-14-4-6-15(7-5-14)20-11-16(19)21-10-13-3-1-2-12(8-13)9-18/h1-8H,10-11H2.
What are the key properties of (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate?
(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate has a molecular weight of 285.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 41383660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).