2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate

C20H19NO4 — CID 163457835

IUPAC2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate
SMILESN#CC(C(=O)OCCOCCO)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO4/c21-15-18(20(23)25-14-13-24-12-11-22)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,22H,11-14H2
InChIKeyBLZIQXMXJVUJGU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.56
Rot. Bonds8

About 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate

2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate (PubChem CID 163457835) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate
PubChem CID163457835
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate
SMILESN#CC(C(=O)OCCOCCO)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO4/c21-15-18(20(23)25-14-13-24-12-11-22)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,22H,11-14H2
InChIKeyBLZIQXMXJVUJGU-UHFFFAOYSA-N
XLogP2.56
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3,3-diphenylprop-2-enoic acid;ethyl 2-cyano-3,3-diphenylprop-2-enoate
CID 157233929
[3-[3-(2-cyano-3,3-diphenylprop-2-enoyl)oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 2-cyano-3,3-diphenylprop-2-enoate
CID 102208374
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
2-(2-hydroxyethoxy)ethoxycarbonyl benzoate
CID 174850057
propyl 3-amino-2-cyano-3-phenylprop-2-enoate
CID 141484853
methyl 2-cyano-3-[4-[2-[4-(2-cyano-3-methoxy-3-oxo-1-phenylprop-1-enyl)phenoxy]ethoxy]phenyl]-3-phenylprop-2-enoate
CID 154121763
[3-(2-cyano-3,3-diphenylprop-2-enoyl)oxyphenyl] 2-cyano-3,3-diphenylprop-2-enoate
CID 23110356
prop-2-enyl 2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 67259989
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(2-cyano-3,3-diphenylprop-2-enoic acid)
CID 173081098
2-methyldecyl 2-cyano-3,3-diphenylprop-2-enoate
CID 163666937
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
pyridin-3-yl 2-cyano-3,3-diphenylprop-2-enoate
CID 59687422

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate (CID 163457835) is 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate is N#CC(C(=O)OCCOCCO)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate?
The InChIKey is BLZIQXMXJVUJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c21-15-18(20(23)25-14-13-24-12-11-22)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,22H,11-14H2.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate?
2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate has a molecular weight of 337.38 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate is sourced from PubChem (CID 163457835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).