1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene

C23H27F — CID 143621628

IUPAC1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)c(/C(C)=C/C)cc1CCCc1cccc(F)c1
InChIInChI=1S/C23H27F/c1-6-17(4)23-15-20(22(16(2)3)13-18(23)5)11-7-9-19-10-8-12-21(24)14-19/h6,8,10,12-15H,2,7,9,11H2,1,3-5H3/b17-6+
InChIKeyLTYBZYNYEWQFAG-UBKPWBPPSA-N
MW322.47 g/mol
LogP6.77
Rot. Bonds6

About 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene

1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene (PubChem CID 143621628) has the molecular formula C23H27F and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene
PubChem CID143621628
Molecular FormulaC23H27F
Molecular Weight322.47 g/mol
Exact Mass322.21
IUPAC Name1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)c(/C(C)=C/C)cc1CCCc1cccc(F)c1
InChIInChI=1S/C23H27F/c1-6-17(4)23-15-20(22(16(2)3)13-18(23)5)11-7-9-19-10-8-12-21(24)14-19/h6,8,10,12-15H,2,7,9,11H2,1,3-5H3/b17-6+
InChIKeyLTYBZYNYEWQFAG-UBKPWBPPSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.47
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-(3-fluorophenyl)propyl]-5-[(2E)-hexa-2,5-dien-3-yl]-4-methyl-2-prop-1-en-2-ylbenzene;propan-1-amine;propane
CID 143621115
ethane;1-[3-(3-fluorophenyl)propyl]-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-(propoxymethyl)benzene;molecular hydrogen
CID 143621044
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
acetylene;1-butyl-3-fluorobenzene
CID 142913636
5-(3-fluorophenyl)pentan-2-imine
CID 157154462
N-[2-(3-fluorophenyl)ethyl]-6-[(3E)-penta-1,3-dien-3-yl]-3-prop-1-en-2-ylpyridin-2-amine
CID 143621444
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
CID 173254875
3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione
CID 54501959
but-1-yne;1-fluoro-3-pentylbenzene
CID 174779976
6-(3-fluorophenyl)hexan-3-one
CID 64521140
N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide
CID 71849358

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene (CID 143621628) is 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene is C=C(C)c1cc(C)c(/C(C)=C/C)cc1CCCc1cccc(F)c1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene?
The InChIKey is LTYBZYNYEWQFAG-UBKPWBPPSA-N. The full InChI is InChI=1S/C23H27F/c1-6-17(4)23-15-20(22(16(2)3)13-18(23)5)11-7-9-19-10-8-12-21(24)14-19/h6,8,10,12-15H,2,7,9,11H2,1,3-5H3/b17-6+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene?
1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene has a molecular weight of 322.47 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143621628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).