1,2-diphenylethenyl 3-phenylprop-2-enoate

C23H18O2 — CID 90922275

IUPAC1,2-diphenylethenyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H18O2/c24-23(17-16-19-10-4-1-5-11-19)25-22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-18H
InChIKeyJBCAGGMRFCJYCL-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.44
Rot. Bonds5

About 1,2-diphenylethenyl 3-phenylprop-2-enoate

1,2-diphenylethenyl 3-phenylprop-2-enoate (PubChem CID 90922275) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1,2-diphenylethenyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name1,2-diphenylethenyl 3-phenylprop-2-enoate
PubChem CID90922275
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name1,2-diphenylethenyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H18O2/c24-23(17-16-19-10-4-1-5-11-19)25-22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-18H
InChIKeyJBCAGGMRFCJYCL-UHFFFAOYSA-N
XLogP5.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.44
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

[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate
CID 11173647
acetyl 3-phenylprop-2-enoate
CID 57206996
[(E)-4-oxo-4-phenylbut-2-en-2-yl] 3-phenylprop-2-enoate
CID 169006927
2-[3-oxo-3-(3-phenylprop-2-enoyloxy)prop-1-enyl]benzoic acid
CID 173274386
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
amino 3-phenylprop-2-enoate
CID 67189797
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
2,3-dihydroxy-4-oxo-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 161032725
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
3-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854728

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethenyl 3-phenylprop-2-enoate?
The IUPAC name of 1,2-diphenylethenyl 3-phenylprop-2-enoate (CID 90922275) is 1,2-diphenylethenyl 3-phenylprop-2-enoate.
What is the SMILES notation for 1,2-diphenylethenyl 3-phenylprop-2-enoate?
The canonical SMILES for 1,2-diphenylethenyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethenyl 3-phenylprop-2-enoate?
The InChIKey is JBCAGGMRFCJYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c24-23(17-16-19-10-4-1-5-11-19)25-22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-18H.
What are the key properties of 1,2-diphenylethenyl 3-phenylprop-2-enoate?
1,2-diphenylethenyl 3-phenylprop-2-enoate has a molecular weight of 326.40 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethenyl 3-phenylprop-2-enoate is sourced from PubChem (CID 90922275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).