2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate

C17H16O3 — CID 173477816

IUPAC2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
SMILESO=C(OCCO)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-11-12-20-17(19)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,13,18H,11-12H2/b16-13-
InChIKeyXVWBECDVJGOYDN-SSZFMOIBSA-N
MW268.31 g/mol
LogP2.76
Rot. Bonds5

About 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate

2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate (PubChem CID 173477816) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
PubChem CID173477816
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
SMILESO=C(OCCO)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-11-12-20-17(19)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,13,18H,11-12H2/b16-13-
InChIKeyXVWBECDVJGOYDN-SSZFMOIBSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
CID 53446850
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
[2-(methylamino)-2-oxoethyl] (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7675877
2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 97301971
ethenyl (Z)-2,3-diphenylprop-2-enoate
CID 19093241
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
ethyl (2E,4Z)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienoate
CID 72736843
2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate
CID 6857977
dimethyl-[2-[(Z)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxyethyl]azanium chloride
CID 6536684
2-ethylhexyl 2,3-diphenylprop-2-enoate
CID 66844667
3,4-diphenylbut-2-enoic acid;ethyl 2,3-diphenylprop-2-enoate
CID 135221457
acetic acid;ethenyl 2,3-diphenylprop-2-enoate
CID 174744472

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate (CID 173477816) is 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate is O=C(OCCO)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate?
The InChIKey is XVWBECDVJGOYDN-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H16O3/c18-11-12-20-17(19)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,13,18H,11-12H2/b16-13-.
What are the key properties of 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate?
2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate is sourced from PubChem (CID 173477816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).