1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene

C17H19F — CID 21336384

IUPAC1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene
SMILESCc1ccc(C(c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C17H19F/c1-12(2)17(14-6-4-13(3)5-7-14)15-8-10-16(18)11-9-15/h4-12,17H,1-3H3
InChIKeyIIKAUDZPMPPBFA-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.92
Rot. Bonds3

About 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene

1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene (PubChem CID 21336384) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene
PubChem CID21336384
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene
SMILESCc1ccc(C(c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C17H19F/c1-12(2)17(14-6-4-13(3)5-7-14)15-8-10-16(18)11-9-15/h4-12,17H,1-3H3
InChIKeyIIKAUDZPMPPBFA-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine
CID 146530371
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
CID 59102457
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
1-fluoro-4-methylbenzene;3-methylbutan-1-amine
CID 178163375
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene?
The IUPAC name of 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene (CID 21336384) is 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene is Cc1ccc(C(c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene?
The InChIKey is IIKAUDZPMPPBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-12(2)17(14-6-4-13(3)5-7-14)15-8-10-16(18)11-9-15/h4-12,17H,1-3H3.
What are the key properties of 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene?
1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene has a molecular weight of 242.34 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene is sourced from PubChem (CID 21336384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).