(4-cyanophenyl)methyl 3-phenoxypropanoate

C17H15NO3 — CID 23856865

IUPAC(4-cyanophenyl)methyl 3-phenoxypropanoate
SMILESN#Cc1ccc(COC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C17H15NO3/c18-12-14-6-8-15(9-7-14)13-21-17(19)10-11-20-16-4-2-1-3-5-16/h1-9H,10-11,13H2
InChIKeyBWFYUZSGXCUTRQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.07
Rot. Bonds6

About (4-cyanophenyl)methyl 3-phenoxypropanoate

(4-cyanophenyl)methyl 3-phenoxypropanoate (PubChem CID 23856865) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 3-phenoxypropanoate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 3-phenoxypropanoate
PubChem CID23856865
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(4-cyanophenyl)methyl 3-phenoxypropanoate
SMILESN#Cc1ccc(COC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C17H15NO3/c18-12-14-6-8-15(9-7-14)13-21-17(19)10-11-20-16-4-2-1-3-5-16/h1-9H,10-11,13H2
InChIKeyBWFYUZSGXCUTRQ-UHFFFAOYSA-N
XLogP3.07
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyanophenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4562658
[2-(4-cyanoanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 2399979
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
propyl 3-phenoxypropanoate
CID 43389568
benzyl 2-(4-cyanophenyl)sulfanylacetate
CID 22666601
2-[(4-cyanophenyl)methoxy]-2-oxoethanesulfinate
CID 69304261
benzyl 3-cyanopropanoate
CID 14568318
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
(4-cyanophenyl)methyl 3-quinolin-2-ylpropanoate
CID 46811628
(4-cyanophenyl)methyl 3-(4-amino-6-anilino-1,3,5-triazin-2-yl)propanoate
CID 8003590
[4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate
CID 7185731
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 3-phenoxypropanoate?
The IUPAC name of (4-cyanophenyl)methyl 3-phenoxypropanoate (CID 23856865) is (4-cyanophenyl)methyl 3-phenoxypropanoate.
What is the SMILES notation for (4-cyanophenyl)methyl 3-phenoxypropanoate?
The canonical SMILES for (4-cyanophenyl)methyl 3-phenoxypropanoate is N#Cc1ccc(COC(=O)CCOc2ccccc2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 3-phenoxypropanoate?
The InChIKey is BWFYUZSGXCUTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c18-12-14-6-8-15(9-7-14)13-21-17(19)10-11-20-16-4-2-1-3-5-16/h1-9H,10-11,13H2.
What are the key properties of (4-cyanophenyl)methyl 3-phenoxypropanoate?
(4-cyanophenyl)methyl 3-phenoxypropanoate has a molecular weight of 281.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 3-phenoxypropanoate is sourced from PubChem (CID 23856865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).