2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene

C18H21F — CID 141114297

IUPAC2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1Cc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C18H21F/c1-12(2)16-10-15(8-9-18(16)19)11-17-13(3)6-5-7-14(17)4/h5-10,12H,11H2,1-4H3
InChIKeyXKHOVRNMODUSIH-UHFFFAOYSA-N
MW256.36 g/mol
LogP5.16
Rot. Bonds3

About 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene

2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene (PubChem CID 141114297) has the molecular formula C18H21F and a molecular weight of 256.36 g/mol. Its IUPAC name is 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene
PubChem CID141114297
Molecular FormulaC18H21F
Molecular Weight256.36 g/mol
Exact Mass256.16
IUPAC Name2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1Cc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C18H21F/c1-12(2)16-10-15(8-9-18(16)19)11-17-13(3)6-5-7-14(17)4/h5-10,12H,11H2,1-4H3
InChIKeyXKHOVRNMODUSIH-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.36
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene (CID 141114297) is 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene is Cc1cccc(C)c1Cc1ccc(F)c(C(C)C)c1.
What is the InChIKey of 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene?
The InChIKey is XKHOVRNMODUSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F/c1-12(2)16-10-15(8-9-18(16)19)11-17-13(3)6-5-7-14(17)4/h5-10,12H,11H2,1-4H3.
What are the key properties of 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene?
2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene has a molecular weight of 256.36 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene is sourced from PubChem (CID 141114297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).