[(R)-cyano(phenyl)methyl] benzoate

C15H11NO2 — CID 12617356

IUPAC[(R)-cyano(phenyl)methyl] benzoate
SMILESN#C[C@H](OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO2/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h1-10,14H/t14-/m0/s1
InChIKeyAXAACNNFMJZAGJ-AWEZNQCLSA-N
MW237.26 g/mol
LogP3.11
Rot. Bonds3

About [(R)-cyano(phenyl)methyl] benzoate

[(R)-cyano(phenyl)methyl] benzoate (PubChem CID 12617356) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is [(R)-cyano(phenyl)methyl] benzoate.

Molecular Properties

Compound Name[(R)-cyano(phenyl)methyl] benzoate
PubChem CID12617356
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name[(R)-cyano(phenyl)methyl] benzoate
SMILESN#C[C@H](OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO2/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h1-10,14H/t14-/m0/s1
InChIKeyAXAACNNFMJZAGJ-AWEZNQCLSA-N
XLogP3.11
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyano-2-hydroxy-1-phenylethyl) benzoate
CID 135043818
[chloro(cyano)methyl] benzoate
CID 152540705
1-cyanoprop-2-enyl benzoate
CID 13229624
[hydroxy(phenyl)methyl] benzoate
CID 22715526
[cyano(phenyl)methoxy]methanedithioic acid
CID 87730336
1-phenylethyl benzoate
CID 174857426
[cyano(phenyl)methyl] 2,2,3,3,4,4,4-heptafluorobutanoate
CID 90903060
2-[cyano(phenyl)methoxy]-2-phenoxyacetic acid
CID 70080911
[cyano-(4-nitrophenyl)methyl] benzoate;3-cyano-2-[(4-nitrophenyl)methyl]benzoic acid
CID 158834342
(2-chloro-2-oxo-1-phenylethyl) benzoate
CID 10659973
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
[(R)-cyano-(4-methylphenyl)methyl] (2R)-2-methoxy-2-phenylacetate
CID 102182407

Frequently Asked Questions

What is the IUPAC name of [(R)-cyano(phenyl)methyl] benzoate?
The IUPAC name of [(R)-cyano(phenyl)methyl] benzoate (CID 12617356) is [(R)-cyano(phenyl)methyl] benzoate.
What is the SMILES notation for [(R)-cyano(phenyl)methyl] benzoate?
The canonical SMILES for [(R)-cyano(phenyl)methyl] benzoate is N#C[C@H](OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(R)-cyano(phenyl)methyl] benzoate?
The InChIKey is AXAACNNFMJZAGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11NO2/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h1-10,14H/t14-/m0/s1.
What are the key properties of [(R)-cyano(phenyl)methyl] benzoate?
[(R)-cyano(phenyl)methyl] benzoate has a molecular weight of 237.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-cyano(phenyl)methyl] benzoate is sourced from PubChem (CID 12617356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).