1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene

C21H19F — CID 122392011

IUPAC1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene
SMILESCc1ccc(CC(F)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19F/c1-16-7-9-17(10-8-16)15-21(22)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h2-14,21H,15H2,1H3
InChIKeyOJUINRSZKCGFCO-UHFFFAOYSA-N
MW290.38 g/mol
LogP5.92
Rot. Bonds4

About 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene

1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene (PubChem CID 122392011) has the molecular formula C21H19F and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene
PubChem CID122392011
Molecular FormulaC21H19F
Molecular Weight290.38 g/mol
Exact Mass290.15
IUPAC Name1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene
SMILESCc1ccc(CC(F)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19F/c1-16-7-9-17(10-8-16)15-21(22)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h2-14,21H,15H2,1H3
InChIKeyOJUINRSZKCGFCO-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.38
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
1,1'-biphenyl;toluene
CID 18366440
1-(1-chloro-2-phenylethyl)-4-phenylbenzene
CID 21425464

Frequently Asked Questions

What is the IUPAC name of 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene?
The IUPAC name of 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene (CID 122392011) is 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene.
What is the SMILES notation for 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene?
The canonical SMILES for 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene is Cc1ccc(CC(F)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene?
The InChIKey is OJUINRSZKCGFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F/c1-16-7-9-17(10-8-16)15-21(22)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h2-14,21H,15H2,1H3.
What are the key properties of 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene?
1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene has a molecular weight of 290.38 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene is sourced from PubChem (CID 122392011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).