methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate

C17H15NO3 — CID 115460593

IUPACmethyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COc1cccc(C#N)c1
InChIInChI=1S/C17H15NO3/c1-20-17(19)10-14-6-2-3-7-15(14)12-21-16-8-4-5-13(9-16)11-18/h2-9H,10,12H2,1H3
InChIKeyTUUYUAQFDBFLIY-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.85
Rot. Bonds5

About methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate

methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate (PubChem CID 115460593) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate
PubChem CID115460593
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COc1cccc(C#N)c1
InChIInChI=1S/C17H15NO3/c1-20-17(19)10-14-6-2-3-7-15(14)12-21-16-8-4-5-13(9-16)11-18/h2-9H,10,12H2,1H3
InChIKeyTUUYUAQFDBFLIY-UHFFFAOYSA-N
XLogP2.85
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 150029896
3-[(5-acetyl-2-methoxyphenyl)methoxy]benzonitrile
CID 4808187
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
4-[(3-cyanophenoxy)methyl]-3-methylbenzonitrile
CID 114481500
3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile
CID 62464085
3-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 43231297
methyl 3-(3-cyanophenoxy)-2,2-dimethylpropanoate
CID 79622779
methyl 2-[2-[(4-cyano-2-pyridinyl)sulfanylmethyl]phenyl]acetate
CID 103837436
3-[(3-cyanophenoxy)methyl]-4-fluorobenzoic acid
CID 107451983
N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 176934412
3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile
CID 43247211
methyl 2-[4-cyano-2-(trifluoromethyl)phenyl]acetate
CID 171028603

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate (CID 115460593) is methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate is COC(=O)Cc1ccccc1COc1cccc(C#N)c1.
What is the InChIKey of methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate?
The InChIKey is TUUYUAQFDBFLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-17(19)10-14-6-2-3-7-15(14)12-21-16-8-4-5-13(9-16)11-18/h2-9H,10,12H2,1H3.
What are the key properties of methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate?
methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate has a molecular weight of 281.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate is sourced from PubChem (CID 115460593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).