2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene

C17H19F — CID 123460717

IUPAC2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)c(-c2ccc(F)cc2C)c1
InChIInChI=1S/C17H19F/c1-11(2)15-7-5-12(3)9-17(15)16-8-6-14(18)10-13(16)4/h5-11H,1-4H3
InChIKeyMWJUCPLEMQBUMP-UHFFFAOYSA-N
MW242.34 g/mol
LogP5.23
Rot. Bonds2

About 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene

2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene (PubChem CID 123460717) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene
PubChem CID123460717
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)c(-c2ccc(F)cc2C)c1
InChIInChI=1S/C17H19F/c1-11(2)15-7-5-12(3)9-17(15)16-8-6-14(18)10-13(16)4/h5-11H,1-4H3
InChIKeyMWJUCPLEMQBUMP-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.34
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-1-(4-methyl-2-propan-2-ylphenyl)benzene
CID 18730157
1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene
CID 91389922
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene
CID 145153744
1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene
CID 170246253
(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol
CID 167533116
4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene
CID 167660923
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene (CID 123460717) is 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene is Cc1ccc(C(C)C)c(-c2ccc(F)cc2C)c1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene?
The InChIKey is MWJUCPLEMQBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-11(2)15-7-5-12(3)9-17(15)16-8-6-14(18)10-13(16)4/h5-11H,1-4H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene?
2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene has a molecular weight of 242.34 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene is sourced from PubChem (CID 123460717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).