ethyl 3-benzyl-4-phenylbut-2-enoate

C19H20O2 — CID 10850364

IUPACethyl 3-benzyl-4-phenylbut-2-enoate
SMILESCCOC(=O)C=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H20O2/c1-2-21-19(20)15-18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3
InChIKeyCJVBPXCZTMDQPG-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.96
Rot. Bonds6

About ethyl 3-benzyl-4-phenylbut-2-enoate

ethyl 3-benzyl-4-phenylbut-2-enoate (PubChem CID 10850364) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 3-benzyl-4-phenylbut-2-enoate.

Molecular Properties

Compound Nameethyl 3-benzyl-4-phenylbut-2-enoate
PubChem CID10850364
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Nameethyl 3-benzyl-4-phenylbut-2-enoate
SMILESCCOC(=O)C=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H20O2/c1-2-21-19(20)15-18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3
InChIKeyCJVBPXCZTMDQPG-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.96
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 (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
ethyl (E)-3-diethoxyphosphoryl-4-phenylbut-2-enoate
CID 13288536
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl (Z)-3-(dibenzylamino)-4-(4-fluorophenyl)but-2-enoate
CID 132534044
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl (E)-3-(benzylamino)-3-phenylprop-2-enoate
CID 101404500
ethyl carbamate;2-phenylacetic acid
CID 153376104
CID 70551914
CID 70551914
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
dibenzyl-(2-ethoxy-2-oxoethylidene)azanium
CID 11315564
ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate
CID 142907956

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-4-phenylbut-2-enoate?
The IUPAC name of ethyl 3-benzyl-4-phenylbut-2-enoate (CID 10850364) is ethyl 3-benzyl-4-phenylbut-2-enoate.
What is the SMILES notation for ethyl 3-benzyl-4-phenylbut-2-enoate?
The canonical SMILES for ethyl 3-benzyl-4-phenylbut-2-enoate is CCOC(=O)C=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 3-benzyl-4-phenylbut-2-enoate?
The InChIKey is CJVBPXCZTMDQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-21-19(20)15-18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3.
What are the key properties of ethyl 3-benzyl-4-phenylbut-2-enoate?
ethyl 3-benzyl-4-phenylbut-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-4-phenylbut-2-enoate is sourced from PubChem (CID 10850364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).