1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene

C17H19F — CID 54376936

IUPAC1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene
SMILESCc1ccc(-c2ccc(F)cc2)c(C)c1C(C)C
InChIInChI=1S/C17H19F/c1-11(2)17-12(3)5-10-16(13(17)4)14-6-8-15(18)9-7-14/h5-11H,1-4H3
InChIKeyBGHLWDPNDPVILS-UHFFFAOYSA-N
MW242.34 g/mol
LogP5.23
Rot. Bonds2

About 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene

1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene (PubChem CID 54376936) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene
PubChem CID54376936
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene
SMILESCc1ccc(-c2ccc(F)cc2)c(C)c1C(C)C
InChIInChI=1S/C17H19F/c1-11(2)17-12(3)5-10-16(13(17)4)14-6-8-15(18)9-7-14/h5-11H,1-4H3
InChIKeyBGHLWDPNDPVILS-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene?
The IUPAC name of 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene (CID 54376936) is 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene?
The canonical SMILES for 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene is Cc1ccc(-c2ccc(F)cc2)c(C)c1C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene?
The InChIKey is BGHLWDPNDPVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-11(2)17-12(3)5-10-16(13(17)4)14-6-8-15(18)9-7-14/h5-11H,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene?
1-(4-fluorophenyl)-2,4-dimethyl-3-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 1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene is sourced from PubChem (CID 54376936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).