2-phenylethenyl 3-phenylprop-2-enoate

C17H14O2 — CID 56982570

IUPAC2-phenylethenyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC=Cc1ccccc1
InChIInChI=1S/C17H14O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-14H
InChIKeyUSSPLNGJQUCHPZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.91
Rot. Bonds4

About 2-phenylethenyl 3-phenylprop-2-enoate

2-phenylethenyl 3-phenylprop-2-enoate (PubChem CID 56982570) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-phenylethenyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-phenylethenyl 3-phenylprop-2-enoate
PubChem CID56982570
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name2-phenylethenyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC=Cc1ccccc1
InChIInChI=1S/C17H14O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-14H
InChIKeyUSSPLNGJQUCHPZ-UHFFFAOYSA-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'}

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Related Compounds

calcium;hydride;2-phenylethenyl prop-2-enoate
CID 174470011
2-phenylethenyl prop-2-enoate;silyloxysilane
CID 173165185
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
[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate
CID 58975815
bis(2-phenylethenyl) (E)-2-aminobut-2-enedioate
CID 174499204
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
acetyl 3-phenylprop-2-enoate
CID 57206996
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
trimethylsilyl (E)-3-phenylprop-2-eneperoxoate
CID 22561457
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenyl 3-phenylprop-2-enoate?
The IUPAC name of 2-phenylethenyl 3-phenylprop-2-enoate (CID 56982570) is 2-phenylethenyl 3-phenylprop-2-enoate.
What is the SMILES notation for 2-phenylethenyl 3-phenylprop-2-enoate?
The canonical SMILES for 2-phenylethenyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OC=Cc1ccccc1.
What is the InChIKey of 2-phenylethenyl 3-phenylprop-2-enoate?
The InChIKey is USSPLNGJQUCHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-14H.
What are the key properties of 2-phenylethenyl 3-phenylprop-2-enoate?
2-phenylethenyl 3-phenylprop-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 2-phenylethenyl 3-phenylprop-2-enoate is sourced from PubChem (CID 56982570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).