2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene

C17H19F — CID 165003126

IUPAC2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C17H19F/c1-12(2)15-8-5-14(6-9-15)11-16-7-4-13(3)10-17(16)18/h4-10,12H,11H2,1-3H3
InChIKeyHPOGMNTZQIEZLX-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.85
Rot. Bonds3

About 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene

2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene (PubChem CID 165003126) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene
PubChem CID165003126
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C17H19F/c1-12(2)15-8-5-14(6-9-15)11-16-7-4-13(3)10-17(16)18/h4-10,12H,11H2,1-3H3
InChIKeyHPOGMNTZQIEZLX-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
4-methyl-2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 141236987
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196
1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 177076550
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273654
2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901348
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
CID 89328807
1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene
CID 164873635
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene?
The IUPAC name of 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene (CID 165003126) is 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene.
What is the SMILES notation for 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene?
The canonical SMILES for 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene is Cc1ccc(Cc2ccc(C(C)C)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene?
The InChIKey is HPOGMNTZQIEZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-12(2)15-8-5-14(6-9-15)11-16-7-4-13(3)10-17(16)18/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene?
2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene has a molecular weight of 242.34 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene is sourced from PubChem (CID 165003126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).