2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene

C23H23FO — CID 144809365

IUPAC2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(OCC(C)C)c(F)c3)cc2)cc1
InChIInChI=1S/C23H23FO/c1-16(2)15-25-23-13-12-21(14-22(23)24)20-10-8-19(9-11-20)18-6-4-17(3)5-7-18/h4-14,16H,15H2,1-3H3
InChIKeyVEAZGHCSZOHUCF-UHFFFAOYSA-N
MW334.43 g/mol
LogP6.50
Rot. Bonds5

About 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene

2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene (PubChem CID 144809365) has the molecular formula C23H23FO and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
PubChem CID144809365
Molecular FormulaC23H23FO
Molecular Weight334.43 g/mol
Exact Mass334.17
IUPAC Name2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(OCC(C)C)c(F)c3)cc2)cc1
InChIInChI=1S/C23H23FO/c1-16(2)15-25-23-13-12-21(14-22(23)24)20-10-8-19(9-11-20)18-6-4-17(3)5-7-18/h4-14,16H,15H2,1-3H3
InChIKeyVEAZGHCSZOHUCF-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.43
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809398
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene
CID 154824759
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-2-fluoropyridine
CID 163987326
1-butoxy-2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 23391139
2-fluoro-4-(isocyanatomethyl)-1-(2-methylpropoxy)benzene
CID 166666897
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 141455426
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
2-(2-methylpropoxy)-5-phenylbenzaldehyde
CID 54795057

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene?
The IUPAC name of 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene (CID 144809365) is 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene.
What is the SMILES notation for 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene?
The canonical SMILES for 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene is Cc1ccc(-c2ccc(-c3ccc(OCC(C)C)c(F)c3)cc2)cc1.
What is the InChIKey of 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene?
The InChIKey is VEAZGHCSZOHUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FO/c1-16(2)15-25-23-13-12-21(14-22(23)24)20-10-8-19(9-11-20)18-6-4-17(3)5-7-18/h4-14,16H,15H2,1-3H3.
What are the key properties of 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene?
2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene has a molecular weight of 334.43 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene is sourced from PubChem (CID 144809365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).