2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene

C24H29F — CID 143032890

IUPAC2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(/C(C)=C(C)/C=C\C)cc1.Cc1ccc(C)c(F)c1
InChIInChI=1S/C16H20.C8H9F/c1-6-7-13(4)14(5)16-10-8-15(9-11-16)12(2)3;1-6-3-4-7(2)8(9)5-6/h6-11H,2H2,1,3-5H3;3-5H,1-2H3/b7-6-,14-13+;
InChIKeyNBYUGOKJNCJVSH-FITLNLLXSA-N
MW336.49 g/mol
LogP7.53
Rot. Bonds3

About 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene

2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene (PubChem CID 143032890) has the molecular formula C24H29F and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene
PubChem CID143032890
Molecular FormulaC24H29F
Molecular Weight336.49 g/mol
Exact Mass336.23
IUPAC Name2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(/C(C)=C(C)/C=C\C)cc1.Cc1ccc(C)c(F)c1
InChIInChI=1S/C16H20.C8H9F/c1-6-7-13(4)14(5)16-10-8-15(9-11-16)12(2)3;1-6-3-4-7(2)8(9)5-6/h6-11H,2H2,1,3-5H3;3-5H,1-2H3/b7-6-,14-13+;
InChIKeyNBYUGOKJNCJVSH-FITLNLLXSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.49
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol
CID 145318169
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene
CID 71053887
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
1-(3-fluoro-4-methylphenyl)ethenamine
CID 129060192

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene?
The IUPAC name of 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene (CID 143032890) is 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(/C(C)=C(C)/C=C\C)cc1.Cc1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene?
The InChIKey is NBYUGOKJNCJVSH-FITLNLLXSA-N. The full InChI is InChI=1S/C16H20.C8H9F/c1-6-7-13(4)14(5)16-10-8-15(9-11-16)12(2)3;1-6-3-4-7(2)8(9)5-6/h6-11H,2H2,1,3-5H3;3-5H,1-2H3/b7-6-,14-13+;.
What are the key properties of 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene?
2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene has a molecular weight of 336.49 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-dimethylbenzene;1-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143032890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).