(3-cyanophenyl)methyl 2-phenoxypropanoate

C17H15NO3 — CID 24671771

IUPAC(3-cyanophenyl)methyl 2-phenoxypropanoate
SMILESCC(Oc1ccccc1)C(=O)OCc1cccc(C#N)c1
InChIInChI=1S/C17H15NO3/c1-13(21-16-8-3-2-4-9-16)17(19)20-12-15-7-5-6-14(10-15)11-18/h2-10,13H,12H2,1H3
InChIKeyRPQYVLJRZZHQLX-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.07
Rot. Bonds5

About (3-cyanophenyl)methyl 2-phenoxypropanoate

(3-cyanophenyl)methyl 2-phenoxypropanoate (PubChem CID 24671771) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3-cyanophenyl)methyl 2-phenoxypropanoate.

Molecular Properties

Compound Name(3-cyanophenyl)methyl 2-phenoxypropanoate
PubChem CID24671771
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(3-cyanophenyl)methyl 2-phenoxypropanoate
SMILESCC(Oc1ccccc1)C(=O)OCc1cccc(C#N)c1
InChIInChI=1S/C17H15NO3/c1-13(21-16-8-3-2-4-9-16)17(19)20-12-15-7-5-6-14(10-15)11-18/h2-10,13H,12H2,1H3
InChIKeyRPQYVLJRZZHQLX-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyanophenyl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7983583
(3-methoxyphenyl)methyl 2-(3-cyanophenoxy)propanoate
CID 47718097
(3-cyanophenyl)methyl 2-phenylpropanoate
CID 175581307
(3-chlorophenyl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7984026
(4-methylphenyl)methyl (2S)-2-(4-cyanophenoxy)propanoate
CID 7978180
N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide
CID 55609402
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
(4-cyanophenyl)methyl (2R)-2-(4-bromophenoxy)propanoate
CID 7754814
(3-cyanophenyl)methyl 4-propan-2-ylbenzoate
CID 7969143
1,3-benzodioxol-5-ylmethyl 2-(4-cyanophenoxy)propanoate
CID 42900529
4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269
(3-cyanophenyl)methyl 2-(4-phenylphenoxy)acetate
CID 9140499

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methyl 2-phenoxypropanoate?
The IUPAC name of (3-cyanophenyl)methyl 2-phenoxypropanoate (CID 24671771) is (3-cyanophenyl)methyl 2-phenoxypropanoate.
What is the SMILES notation for (3-cyanophenyl)methyl 2-phenoxypropanoate?
The canonical SMILES for (3-cyanophenyl)methyl 2-phenoxypropanoate is CC(Oc1ccccc1)C(=O)OCc1cccc(C#N)c1.
What is the InChIKey of (3-cyanophenyl)methyl 2-phenoxypropanoate?
The InChIKey is RPQYVLJRZZHQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-13(21-16-8-3-2-4-9-16)17(19)20-12-15-7-5-6-14(10-15)11-18/h2-10,13H,12H2,1H3.
What are the key properties of (3-cyanophenyl)methyl 2-phenoxypropanoate?
(3-cyanophenyl)methyl 2-phenoxypropanoate has a molecular weight of 281.31 g/mol, XLogP of 3.07, 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-phenoxypropanoate is sourced from PubChem (CID 24671771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).