ethyl 4,4-diphenylbut-3-enoate

C18H18O2 — CID 3703084

IUPACethyl 4,4-diphenylbut-3-enoate
SMILESCCOC(=O)CC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-20-18(19)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChIKeyWAQDAWSCUXCSCR-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.07
Rot. Bonds5

About ethyl 4,4-diphenylbut-3-enoate

ethyl 4,4-diphenylbut-3-enoate (PubChem CID 3703084) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 4,4-diphenylbut-3-enoate.

Molecular Properties

Compound Nameethyl 4,4-diphenylbut-3-enoate
PubChem CID3703084
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Nameethyl 4,4-diphenylbut-3-enoate
SMILESCCOC(=O)CC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-20-18(19)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChIKeyWAQDAWSCUXCSCR-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-diphenylbut-3-enoate?
The IUPAC name of ethyl 4,4-diphenylbut-3-enoate (CID 3703084) is ethyl 4,4-diphenylbut-3-enoate.
What is the SMILES notation for ethyl 4,4-diphenylbut-3-enoate?
The canonical SMILES for ethyl 4,4-diphenylbut-3-enoate is CCOC(=O)CC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 4,4-diphenylbut-3-enoate?
The InChIKey is WAQDAWSCUXCSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-20-18(19)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 4,4-diphenylbut-3-enoate?
ethyl 4,4-diphenylbut-3-enoate has a molecular weight of 266.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-diphenylbut-3-enoate is sourced from PubChem (CID 3703084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).