2-hydroxyethyl 3,3-diphenylprop-2-enoate

C17H16O3 — CID 15648396

IUPAC2-hydroxyethyl 3,3-diphenylprop-2-enoate
SMILESO=C(C=C(c1ccccc1)c1ccccc1)OCCO
InChIInChI=1S/C17H16O3/c18-11-12-20-17(19)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,18H,11-12H2
InChIKeyODTDGALYRLFYFW-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.65
Rot. Bonds5

About 2-hydroxyethyl 3,3-diphenylprop-2-enoate

2-hydroxyethyl 3,3-diphenylprop-2-enoate (PubChem CID 15648396) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-hydroxyethyl 3,3-diphenylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 3,3-diphenylprop-2-enoate
PubChem CID15648396
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-hydroxyethyl 3,3-diphenylprop-2-enoate
SMILESO=C(C=C(c1ccccc1)c1ccccc1)OCCO
InChIInChI=1S/C17H16O3/c18-11-12-20-17(19)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,18H,11-12H2
InChIKeyODTDGALYRLFYFW-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 3,3-diphenylprop-2-enoate
CID 71400914
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
CID 11120432
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
2-methylbutan-2-yl 3,3-diphenylprop-2-enoate
CID 71318595
ethyl 3,3-bis[4-(2-phenylethynyl)phenyl]prop-2-enoate
CID 19261667
benzoic acid;3-hydroxypropyl prop-2-enoate
CID 161094010
2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
CID 173477816
4,4-diphenylbut-3-en-2-one;hydrazine
CID 158754130

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3,3-diphenylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl 3,3-diphenylprop-2-enoate (CID 15648396) is 2-hydroxyethyl 3,3-diphenylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 3,3-diphenylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 3,3-diphenylprop-2-enoate is O=C(C=C(c1ccccc1)c1ccccc1)OCCO.
What is the InChIKey of 2-hydroxyethyl 3,3-diphenylprop-2-enoate?
The InChIKey is ODTDGALYRLFYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-11-12-20-17(19)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,18H,11-12H2.
What are the key properties of 2-hydroxyethyl 3,3-diphenylprop-2-enoate?
2-hydroxyethyl 3,3-diphenylprop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3,3-diphenylprop-2-enoate is sourced from PubChem (CID 15648396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).