ethyl (Z)-2,4-diphenylbut-2-enoate

C18H18O2 — CID 23252781

IUPACethyl (Z)-2,4-diphenylbut-2-enoate
SMILESCCOC(=O)/C(=C\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-20-18(19)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3/b17-14-
InChIKeyMRFZQRVNGSSLTR-VKAVYKQESA-N
MW266.34 g/mol
LogP3.88
Rot. Bonds5

About ethyl (Z)-2,4-diphenylbut-2-enoate

ethyl (Z)-2,4-diphenylbut-2-enoate (PubChem CID 23252781) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl (Z)-2,4-diphenylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2,4-diphenylbut-2-enoate
PubChem CID23252781
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Nameethyl (Z)-2,4-diphenylbut-2-enoate
SMILESCCOC(=O)/C(=C\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-20-18(19)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3/b17-14-
InChIKeyMRFZQRVNGSSLTR-VKAVYKQESA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2,4-diphenylbut-2-enoate?
The IUPAC name of ethyl (Z)-2,4-diphenylbut-2-enoate (CID 23252781) is ethyl (Z)-2,4-diphenylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-2,4-diphenylbut-2-enoate?
The canonical SMILES for ethyl (Z)-2,4-diphenylbut-2-enoate is CCOC(=O)/C(=C\Cc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (Z)-2,4-diphenylbut-2-enoate?
The InChIKey is MRFZQRVNGSSLTR-VKAVYKQESA-N. The full InChI is InChI=1S/C18H18O2/c1-2-20-18(19)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3/b17-14-.
What are the key properties of ethyl (Z)-2,4-diphenylbut-2-enoate?
ethyl (Z)-2,4-diphenylbut-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2,4-diphenylbut-2-enoate is sourced from PubChem (CID 23252781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).