1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane

C52H54O3 — CID 157310575

IUPAC1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane
SMILESC1CCOC1.CCc1ccc(-c2ccc(/C=C/c3ccc(C(C)=O)cc3)cc2)cc1.CCc1ccc(-c2ccc(CCc3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C24H24O.C24H22O.C4H8O/c2*1-3-19-6-14-23(15-7-19)24-16-10-21(11-17-24)5-4-20-8-12-22(13-9-20)18(2)25;1-2-4-5-3-1/h6-17H,3-5H2,1-2H3;4-17H,3H2,1-2H3;1-4H2/b;5-4+;
InChIKeyBCZLCZMVWXIHEA-YHVJRZKVSA-N
MW727.00 g/mol
LogP12.99
Rot. Bonds11

About 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane

1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane (PubChem CID 157310575) has the molecular formula C52H54O3 and a molecular weight of 727.00 g/mol. Its IUPAC name is 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane.

Molecular Properties

Compound Name1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane
PubChem CID157310575
Molecular FormulaC52H54O3
Molecular Weight727.00 g/mol
Exact Mass726.41
IUPAC Name1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane
SMILESC1CCOC1.CCc1ccc(-c2ccc(/C=C/c3ccc(C(C)=O)cc3)cc2)cc1.CCc1ccc(-c2ccc(CCc3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C24H24O.C24H22O.C4H8O/c2*1-3-19-6-14-23(15-7-19)24-16-10-21(11-17-24)5-4-20-8-12-22(13-9-20)18(2)25;1-2-4-5-3-1/h6-17H,3-5H2,1-2H3;4-17H,3H2,1-2H3;1-4H2/b;5-4+;
InChIKeyBCZLCZMVWXIHEA-YHVJRZKVSA-N
XLogP12.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.00
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
1-(4-ethylphenyl)ethanone;propanamide
CID 142891370
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
6-[4-(4-ethylphenyl)phenyl]-N-hydroxyhexanamide
CID 142170347
3-(4-acetylphenyl)propanal
CID 11030349
1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
CID 19780877
4-(4-ethylphenyl)benzamide
CID 53425878
1-[4-(2-iodoethyl)phenyl]ethanone
CID 18402562
1-[4-[4-(cyclobutylmethyl)phenyl]phenyl]ethanone
CID 18738048

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane?
The IUPAC name of 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane (CID 157310575) is 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane.
What is the SMILES notation for 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane?
The canonical SMILES for 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane is C1CCOC1.CCc1ccc(-c2ccc(/C=C/c3ccc(C(C)=O)cc3)cc2)cc1.CCc1ccc(-c2ccc(CCc3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane?
The InChIKey is BCZLCZMVWXIHEA-YHVJRZKVSA-N. The full InChI is InChI=1S/C24H24O.C24H22O.C4H8O/c2*1-3-19-6-14-23(15-7-19)24-16-10-21(11-17-24)5-4-20-8-12-22(13-9-20)18(2)25;1-2-4-5-3-1/h6-17H,3-5H2,1-2H3;4-17H,3H2,1-2H3;1-4H2/b;5-4+;.
What are the key properties of 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane?
1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane has a molecular weight of 727.00 g/mol, XLogP of 12.99, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane is sourced from PubChem (CID 157310575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).