ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate

C25H24O2 — CID 177397823

IUPACethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C(/c1ccccc1)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H24O2/c1-4-27-25(26)24(22-16-12-19(3)13-17-22)23(20-8-6-5-7-9-20)21-14-10-18(2)11-15-21/h5-17H,4H2,1-3H3/b24-23-
InChIKeyKASVNFOFYFVXBB-VHXPQNKSSA-N
MW356.47 g/mol
LogP5.83
Rot. Bonds5

About ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate

ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate (PubChem CID 177397823) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
PubChem CID177397823
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Nameethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C(/c1ccccc1)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H24O2/c1-4-27-25(26)24(22-16-12-19(3)13-17-22)23(20-8-6-5-7-9-20)21-14-10-18(2)11-15-21/h5-17H,4H2,1-3H3/b24-23-
InChIKeyKASVNFOFYFVXBB-VHXPQNKSSA-N
XLogP5.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethyl (E)-3-acetamido-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 42638338
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl 2,3-diphenylbut-2-enoate
CID 175493323
ethyl 3,3-difluoro-2-(4-methylphenyl)prop-2-enoate
CID 25002773
ethyl 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
CID 134119528
ethyl (E)-3-[(4-methylphenyl)sulfonylamino]-2-phenylbut-2-enoate
CID 101155557
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate
CID 101468495
ethyl benzoate;toluene
CID 23150750
ethyl (Z)-3-amino-3-(4-methylsulfonylphenyl)-2-phenylprop-2-enoate
CID 142816161
diethyl (Z)-2-phenyl-3-(2-phenylethyl)but-2-enedioate
CID 154407365

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate (CID 177397823) is ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate is CCOC(=O)/C(=C(/c1ccccc1)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate?
The InChIKey is KASVNFOFYFVXBB-VHXPQNKSSA-N. The full InChI is InChI=1S/C25H24O2/c1-4-27-25(26)24(22-16-12-19(3)13-17-22)23(20-8-6-5-7-9-20)21-14-10-18(2)11-15-21/h5-17H,4H2,1-3H3/b24-23-.
What are the key properties of ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate?
ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate has a molecular weight of 356.47 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate is sourced from PubChem (CID 177397823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).