1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene

C22H22F2 — CID 144561335

IUPAC1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(F)cc2)cc1.Cc1ccc(F)cc1
InChIInChI=1S/C15H15F.C7H7F/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;1-6-2-4-7(8)5-3-6/h2-5,8-11H,6-7H2,1H3;2-5H,1H3
InChIKeyMFWSWVXVCIERBA-UHFFFAOYSA-N
MW324.41 g/mol
LogP6.05
Rot. Bonds3

About 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene

1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene (PubChem CID 144561335) has the molecular formula C22H22F2 and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
PubChem CID144561335
Molecular FormulaC22H22F2
Molecular Weight324.41 g/mol
Exact Mass324.17
IUPAC Name1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(F)cc2)cc1.Cc1ccc(F)cc1
InChIInChI=1S/C15H15F.C7H7F/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;1-6-2-4-7(8)5-3-6/h2-5,8-11H,6-7H2,1H3;2-5H,1H3
InChIKeyMFWSWVXVCIERBA-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.41
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-[3-bromo-4-(4-fluorophenyl)butyl]-4-methylbenzene
CID 63542269
1-fluoro-4-propylbenzene
CID 2737505
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
(4-fluorophenyl) 3-(4-methylphenyl)propanoate
CID 19220615

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene?
The IUPAC name of 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene (CID 144561335) is 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene?
The canonical SMILES for 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene is Cc1ccc(CCc2ccc(F)cc2)cc1.Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene?
The InChIKey is MFWSWVXVCIERBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F.C7H7F/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;1-6-2-4-7(8)5-3-6/h2-5,8-11H,6-7H2,1H3;2-5H,1H3.
What are the key properties of 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene?
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene has a molecular weight of 324.41 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 144561335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).