ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate

C23H20O2 — CID 22557638

IUPACethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C23H20O2/c1-2-25-23(24)14-13-18-15-21(19-9-5-3-6-10-19)17-22(16-18)20-11-7-4-8-12-20/h3-17H,2H2,1H3/b14-13+
InChIKeyQWRUGNXEJLQEIL-BUHFOSPRSA-N
MW328.41 g/mol
LogP5.60
Rot. Bonds5

About ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate

ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate (PubChem CID 22557638) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
PubChem CID22557638
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Nameethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C23H20O2/c1-2-25-23(24)14-13-18-15-21(19-9-5-3-6-10-19)17-22(16-18)20-11-7-4-8-12-20/h3-17H,2H2,1H3/b14-13+
InChIKeyQWRUGNXEJLQEIL-BUHFOSPRSA-N
XLogP5.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[3,5-bis(4-tert-butylphenyl)phenyl]prop-2-enoate
CID 22557635
ethyl 3-[3-[4-(aminomethyl)phenyl]phenyl]prop-2-enoate
CID 174410498
propyl 3-(3-phenylphenyl)prop-2-enoate
CID 135124125
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
ethyl 3-(4-benzoylphenyl)prop-2-enoate
CID 73018400
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
ethyl (E)-3-(4-phenylsulfanylphenyl)prop-2-enoate
CID 86645813
ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate
CID 102265861
ethyl (E)-3-[4-(4-bromophenyl)phenyl]prop-2-enoate
CID 10544468

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate (CID 22557638) is ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate is CCOC(=O)/C=C/c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate?
The InChIKey is QWRUGNXEJLQEIL-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H20O2/c1-2-25-23(24)14-13-18-15-21(19-9-5-3-6-10-19)17-22(16-18)20-11-7-4-8-12-20/h3-17H,2H2,1H3/b14-13+.
What are the key properties of ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate?
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate has a molecular weight of 328.41 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate is sourced from PubChem (CID 22557638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).