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

C17H14O2 — CID 19093241

IUPACethenyl (Z)-2,3-diphenylprop-2-enoate
SMILESC=COC(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O2/c1-2-19-17(18)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h2-13H,1H2/b16-13-
InChIKeyCDNACGGBXISXEC-SSZFMOIBSA-N
MW250.30 g/mol
LogP3.91
Rot. Bonds4

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

ethenyl (Z)-2,3-diphenylprop-2-enoate (PubChem CID 19093241) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethenyl (Z)-2,3-diphenylprop-2-enoate.

Molecular Properties

Compound Nameethenyl (Z)-2,3-diphenylprop-2-enoate
PubChem CID19093241
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Nameethenyl (Z)-2,3-diphenylprop-2-enoate
SMILESC=COC(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O2/c1-2-19-17(18)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h2-13H,1H2/b16-13-
InChIKeyCDNACGGBXISXEC-SSZFMOIBSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

acetic acid;ethenyl 2,3-diphenylprop-2-enoate
CID 174744472
2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
CID 173477816
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058
ethenyl benzoate
CID 158178912
CID 69279397
CID 69279397
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
CID 53446850
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483

Frequently Asked Questions

What is the IUPAC name of ethenyl (Z)-2,3-diphenylprop-2-enoate?
The IUPAC name of ethenyl (Z)-2,3-diphenylprop-2-enoate (CID 19093241) is ethenyl (Z)-2,3-diphenylprop-2-enoate.
What is the SMILES notation for ethenyl (Z)-2,3-diphenylprop-2-enoate?
The canonical SMILES for ethenyl (Z)-2,3-diphenylprop-2-enoate is C=COC(=O)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl (Z)-2,3-diphenylprop-2-enoate?
The InChIKey is CDNACGGBXISXEC-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H14O2/c1-2-19-17(18)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h2-13H,1H2/b16-13-.
What are the key properties of ethenyl (Z)-2,3-diphenylprop-2-enoate?
ethenyl (Z)-2,3-diphenylprop-2-enoate has a molecular weight of 250.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (Z)-2,3-diphenylprop-2-enoate is sourced from PubChem (CID 19093241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).