cyanomethyl 2-hydroxy-2,2-diphenylacetate

C16H13NO3 — CID 2672911

IUPACcyanomethyl 2-hydroxy-2,2-diphenylacetate
SMILESN#CCOC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO3/c17-11-12-20-15(18)16(19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,19H,12H2
InChIKeyQYAAMJHPQGGESQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.99
Rot. Bonds4

About cyanomethyl 2-hydroxy-2,2-diphenylacetate

cyanomethyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 2672911) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is cyanomethyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Namecyanomethyl 2-hydroxy-2,2-diphenylacetate
PubChem CID2672911
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Namecyanomethyl 2-hydroxy-2,2-diphenylacetate
SMILESN#CCOC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO3/c17-11-12-20-15(18)16(19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,19H,12H2
InChIKeyQYAAMJHPQGGESQ-UHFFFAOYSA-N
XLogP1.99
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

chloro 2-hydroxy-2,2-diphenylacetate
CID 67237911
tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium
CID 3096626
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191540
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
methyl 3-cyano-2-hydroxy-2-phenylpropanoate
CID 131858436
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 27931453
(3S)-3-hydroxy-3-phenylbutanenitrile
CID 792926
2-(4-cyanophenyl)-2-hydroxy-2-phenylacetamide
CID 139613574
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675463
methyl 4-(cyanomethoxy)-2,2-diphenylbutanoate
CID 162514854
[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191528

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of cyanomethyl 2-hydroxy-2,2-diphenylacetate (CID 2672911) is cyanomethyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for cyanomethyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for cyanomethyl 2-hydroxy-2,2-diphenylacetate is N#CCOC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyanomethyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is QYAAMJHPQGGESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c17-11-12-20-15(18)16(19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,19H,12H2.
What are the key properties of cyanomethyl 2-hydroxy-2,2-diphenylacetate?
cyanomethyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 267.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 2672911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).