3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene

C20H22O — CID 141019817

IUPAC3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene
SMILESCC(=CCc1ccccc1)OC(C)=CCc1ccccc1
InChIInChI=1S/C20H22O/c1-17(13-15-19-9-5-3-6-10-19)21-18(2)14-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyCORXPYJVQDZQBQ-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.30
Rot. Bonds6

About 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene

3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene (PubChem CID 141019817) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene.

Molecular Properties

Compound Name3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene
PubChem CID141019817
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene
SMILESCC(=CCc1ccccc1)OC(C)=CCc1ccccc1
InChIInChI=1S/C20H22O/c1-17(13-15-19-9-5-3-6-10-19)21-18(2)14-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyCORXPYJVQDZQBQ-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

triphenyl-[(Z)-4-phenylbut-2-en-2-yl]oxysilane
CID 101425357
actinium;(Z)-4-phenylbut-2-en-2-ol
CID 22892787
[(Z)-3-iodobut-2-enyl]benzene
CID 166908870
3,3-diethoxyprop-2-enylbenzene
CID 68782187
1-amino-3-phenylprop-1-en-1-ol
CID 67202427
benzyl 2-methyl-4-phenylbut-2-enoate
CID 56992383
phenyl 2-methyl-4-phenylbut-2-enoate
CID 174690725
methyl 2-methyl-4-phenylbut-2-eneperoxoate
CID 173164864
tert-butyl (E)-2-methyl-4-phenylbut-2-enoate
CID 10857330
[(E)-3-methyloct-2-enyl]benzene
CID 12622229
2-(4-phenylbut-2-en-2-yl)pyridine
CID 175479491
methyl (E)-2-methoxy-4-phenylbut-2-enoate
CID 11171761

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene?
The IUPAC name of 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene (CID 141019817) is 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene.
What is the SMILES notation for 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene?
The canonical SMILES for 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene is CC(=CCc1ccccc1)OC(C)=CCc1ccccc1.
What is the InChIKey of 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene?
The InChIKey is CORXPYJVQDZQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-17(13-15-19-9-5-3-6-10-19)21-18(2)14-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene?
3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene has a molecular weight of 278.39 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene is sourced from PubChem (CID 141019817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).