2-phenylethyl 4-phenylbut-2-enoate

C18H18O2 — CID 151426246

IUPAC2-phenylethyl 4-phenylbut-2-enoate
SMILESO=C(C=CCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C18H18O2/c19-18(13-7-12-16-8-3-1-4-9-16)20-15-14-17-10-5-2-6-11-17/h1-11,13H,12,14-15H2
InChIKeyPBONROROHKFJDQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.57
Rot. Bonds6

About 2-phenylethyl 4-phenylbut-2-enoate

2-phenylethyl 4-phenylbut-2-enoate (PubChem CID 151426246) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-phenylethyl 4-phenylbut-2-enoate.

Molecular Properties

Compound Name2-phenylethyl 4-phenylbut-2-enoate
PubChem CID151426246
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-phenylethyl 4-phenylbut-2-enoate
SMILESO=C(C=CCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C18H18O2/c19-18(13-7-12-16-8-3-1-4-9-16)20-15-14-17-10-5-2-6-11-17/h1-11,13H,12,14-15H2
InChIKeyPBONROROHKFJDQ-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.57
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

2-phenylethyl (E)-but-2-enoate
CID 5354304
2-phenylethyl (E)-6-methylhept-2-enoate
CID 155384300
2-phenylethyl (E,5R,6S)-5,6,7-trihydroxyhept-2-enoate
CID 150583072
2-phenylethyl (4E)-hexa-2,4-dienoate
CID 137320029
4-O-(2-hydroxypropyl) 1-O-(2-phenylethyl) but-2-enedioate
CID 54472095
(E)-4-oxo-4-(3-phenylpropoxy)but-2-enoic acid
CID 54583605
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-phenylethyl (E)-3-naphthalen-2-ylprop-2-enoate
CID 138558211
2-phenylethyl (E)-3-(2,4-dihydroxyphenyl)prop-2-enoate
CID 102321719
2-phenylethyl acetate
CID 7654
(Z)-4-phenylbut-2-enoyl chloride
CID 176872561

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-phenylbut-2-enoate?
The IUPAC name of 2-phenylethyl 4-phenylbut-2-enoate (CID 151426246) is 2-phenylethyl 4-phenylbut-2-enoate.
What is the SMILES notation for 2-phenylethyl 4-phenylbut-2-enoate?
The canonical SMILES for 2-phenylethyl 4-phenylbut-2-enoate is O=C(C=CCc1ccccc1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 4-phenylbut-2-enoate?
The InChIKey is PBONROROHKFJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(13-7-12-16-8-3-1-4-9-16)20-15-14-17-10-5-2-6-11-17/h1-11,13H,12,14-15H2.
What are the key properties of 2-phenylethyl 4-phenylbut-2-enoate?
2-phenylethyl 4-phenylbut-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-phenylbut-2-enoate is sourced from PubChem (CID 151426246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).