2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene

C22H25F — CID 144788966

IUPAC2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(-c2c(C)ccc(C(=C)C)c2CC)c1F
InChIInChI=1S/C22H25F/c1-8-17-18(13(2)3)11-9-15(6)20(17)21-16(7)10-12-19(14(4)5)22(21)23/h9-12H,2,4,8H2,1,3,5-7H3
InChIKeyJABKXFHIRCJHQF-UHFFFAOYSA-N
MW308.44 g/mol
LogP6.74
Rot. Bonds4

About 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene

2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene (PubChem CID 144788966) has the molecular formula C22H25F and a molecular weight of 308.44 g/mol. Its IUPAC name is 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene
PubChem CID144788966
Molecular FormulaC22H25F
Molecular Weight308.44 g/mol
Exact Mass308.19
IUPAC Name2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(-c2c(C)ccc(C(=C)C)c2CC)c1F
InChIInChI=1S/C22H25F/c1-8-17-18(13(2)3)11-9-15(6)20(17)21-16(7)10-12-19(14(4)5)22(21)23/h9-12H,2,4,8H2,1,3,5-7H3
InChIKeyJABKXFHIRCJHQF-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.44
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene (CID 144788966) is 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C)c(-c2c(C)ccc(C(=C)C)c2CC)c1F.
What is the InChIKey of 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene?
The InChIKey is JABKXFHIRCJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F/c1-8-17-18(13(2)3)11-9-15(6)20(17)21-16(7)10-12-19(14(4)5)22(21)23/h9-12H,2,4,8H2,1,3,5-7H3.
What are the key properties of 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene?
2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene has a molecular weight of 308.44 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 144788966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).