ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate

C23H17NO4 — CID 56647866

IUPACethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cc(C#N)c1-c1ccccc1
InChIInChI=1S/C23H17NO4/c1-2-28-23(27)19-13-16(22(26)18-10-6-7-11-20(18)25)12-17(14-24)21(19)15-8-4-3-5-9-15/h3-13,25H,2H2,1H3
InChIKeyOMRWXSRKLWCETA-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.34
Rot. Bonds5

About ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate

ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate (PubChem CID 56647866) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate.

Molecular Properties

Compound Nameethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate
PubChem CID56647866
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Nameethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cc(C#N)c1-c1ccccc1
InChIInChI=1S/C23H17NO4/c1-2-28-23(27)19-13-16(22(26)18-10-6-7-11-20(18)25)12-17(14-24)21(19)15-8-4-3-5-9-15/h3-13,25H,2H2,1H3
InChIKeyOMRWXSRKLWCETA-UHFFFAOYSA-N
XLogP4.34
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-propylbenzoate
CID 56647864
ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate
CID 56648068
2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile
CID 56647959
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
diethyl butanedioate;2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765817
ethyl 4-(aminomethyl)-3-cyano-2-phenylbenzoate
CID 174979223
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
ethyl 3,5-dicyano-2-hydroxy-4,6-diphenylbenzoate
CID 100964726
ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate
CID 1489423
ethyl 5-benzoyloxy-2-hydroxybenzoate
CID 18544052
ethyl 4-cyano-2,3-dihydroxybenzoate
CID 131533373
ethyl 2-(aminomethyl)-5-cyano-4-ethylbenzoate
CID 134650246

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate?
The IUPAC name of ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate (CID 56647866) is ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate.
What is the SMILES notation for ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate?
The canonical SMILES for ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate is CCOC(=O)c1cc(C(=O)c2ccccc2O)cc(C#N)c1-c1ccccc1.
What is the InChIKey of ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate?
The InChIKey is OMRWXSRKLWCETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-2-28-23(27)19-13-16(22(26)18-10-6-7-11-20(18)25)12-17(14-24)21(19)15-8-4-3-5-9-15/h3-13,25H,2H2,1H3.
What are the key properties of ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate?
ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate has a molecular weight of 371.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate is sourced from PubChem (CID 56647866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).