1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene

C21H24 — CID 123358089

IUPAC1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene
SMILESC=CCc1ccc(C(C)(C)c2ccc(CC=C)cc2)cc1
InChIInChI=1S/C21H24/c1-5-7-17-9-13-19(14-10-17)21(3,4)20-15-11-18(8-6-2)12-16-20/h5-6,9-16H,1-2,7-8H2,3-4H3
InChIKeyGOQCXARZGZDVDY-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.47
Rot. Bonds6

About 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene

1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene (PubChem CID 123358089) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene
PubChem CID123358089
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene
SMILESC=CCc1ccc(C(C)(C)c2ccc(CC=C)cc2)cc1
InChIInChI=1S/C21H24/c1-5-7-17-9-13-19(14-10-17)21(3,4)20-15-11-18(8-6-2)12-16-20/h5-6,9-16H,1-2,7-8H2,3-4H3
InChIKeyGOQCXARZGZDVDY-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-prop-2-enylphenyl)pent-4-en-2-ol
CID 139253933
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
2-[2-[4-[2-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-4,6-bis(prop-2-enyl)phenol
CID 70618214
1-fluoro-4-prop-2-enylbenzene;methanamine
CID 143096990
N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine
CID 67265564
1-methylsulfanyl-4-prop-2-enylbenzene
CID 2760094
2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol
CID 139341266
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
prop-2-enylbenzene
CID 159998516
sodium 4-prop-2-enylphenolate
CID 23693215
bis(4-prop-2-enylphenyl)iodanium
CID 87130865

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene?
The IUPAC name of 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene (CID 123358089) is 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene is C=CCc1ccc(C(C)(C)c2ccc(CC=C)cc2)cc1.
What is the InChIKey of 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene?
The InChIKey is GOQCXARZGZDVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-5-7-17-9-13-19(14-10-17)21(3,4)20-15-11-18(8-6-2)12-16-20/h5-6,9-16H,1-2,7-8H2,3-4H3.
What are the key properties of 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene?
1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene has a molecular weight of 276.42 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 123358089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).