2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene

C23H28 — CID 169493054

IUPAC2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CC(=C)c2ccc(C(C)C)cc2)c(CC)c1
InChIInChI=1S/C23H28/c1-6-8-19-9-10-23(20(7-2)16-19)15-18(5)22-13-11-21(12-14-22)17(3)4/h6,9-14,16-17H,1,5,7-8,15H2,2-4H3
InChIKeyPUTDYZWTTFMEKL-UHFFFAOYSA-N
MW304.48 g/mol
LogP6.36
Rot. Bonds7

About 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene

2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene (PubChem CID 169493054) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene.

Molecular Properties

Compound Name2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene
PubChem CID169493054
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CC(=C)c2ccc(C(C)C)cc2)c(CC)c1
InChIInChI=1S/C23H28/c1-6-8-19-9-10-23(20(7-2)16-19)15-18(5)22-13-11-21(12-14-22)17(3)4/h6,9-14,16-17H,1,5,7-8,15H2,2-4H3
InChIKeyPUTDYZWTTFMEKL-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.36
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-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
2-ethenyl-1-ethyl-4-prop-2-enylbenzene
CID 123275619
2-butan-2-yl-4-prop-2-enylphenol
CID 155933594
1-(6-prop-2-enylnaphthalen-2-yl)ethanol
CID 67804497
(4-propan-2-yl-3-prop-2-enylphenyl)methanol
CID 118407967
(Z)-4-methyl-3-[(4-propan-2-ylphenyl)methyl]pent-2-enoic acid
CID 82086217
prop-2-enyl 2-(4-propan-2-ylphenyl)acetate
CID 175438226
(4R,5S)-5-hydroxy-4-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]hexan-3-one
CID 163005298
1-ethyl-2-(2-phenylprop-2-enyl)benzene
CID 18968382
2-ethyl-5-propan-2-ylphenol
CID 45096246
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
3-propan-2-yl-5-prop-2-enylphenol
CID 169324480

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene?
The IUPAC name of 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene (CID 169493054) is 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene.
What is the SMILES notation for 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene?
The canonical SMILES for 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene is C=CCc1ccc(CC(=C)c2ccc(C(C)C)cc2)c(CC)c1.
What is the InChIKey of 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene?
The InChIKey is PUTDYZWTTFMEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-6-8-19-9-10-23(20(7-2)16-19)15-18(5)22-13-11-21(12-14-22)17(3)4/h6,9-14,16-17H,1,5,7-8,15H2,2-4H3.
What are the key properties of 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene?
2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene has a molecular weight of 304.48 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene is sourced from PubChem (CID 169493054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).