4-butyl-2-(3-fluorophenyl)-1-phenylbenzene

C22H21F — CID 67893585

IUPAC4-butyl-2-(3-fluorophenyl)-1-phenylbenzene
SMILESCCCCc1ccc(-c2ccccc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C22H21F/c1-2-3-8-17-13-14-21(18-9-5-4-6-10-18)22(15-17)19-11-7-12-20(23)16-19/h4-7,9-16H,2-3,8H2,1H3
InChIKeyFBYKSTWCMQSBHF-UHFFFAOYSA-N
MW304.41 g/mol
LogP6.50
Rot. Bonds5

About 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene

4-butyl-2-(3-fluorophenyl)-1-phenylbenzene (PubChem CID 67893585) has the molecular formula C22H21F and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene.

Molecular Properties

Compound Name4-butyl-2-(3-fluorophenyl)-1-phenylbenzene
PubChem CID67893585
Molecular FormulaC22H21F
Molecular Weight304.41 g/mol
Exact Mass304.16
IUPAC Name4-butyl-2-(3-fluorophenyl)-1-phenylbenzene
SMILESCCCCc1ccc(-c2ccccc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C22H21F/c1-2-3-8-17-13-14-21(18-9-5-4-6-10-18)22(15-17)19-11-7-12-20(23)16-19/h4-7,9-16H,2-3,8H2,1H3
InChIKeyFBYKSTWCMQSBHF-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[5-butyl-2-(3-fluorophenyl)phenyl]benzonitrile
CID 67726210
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene
CID 67866294
acetylene;1-butyl-3-fluorobenzene
CID 142913636
1,3-dipentylbenzene;fluorobenzene
CID 174957175
(5-pentyl-2-phenylphenyl)boronic acid
CID 68778715
1-(3-fluorophenyl)-4-(4-pentylcyclohexyl)-2-phenylbenzene
CID 18647585
1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
CID 173254875
4-pentyl-2-phenylphenol
CID 154147556
2,5-dibutyl-3-phenylphenol
CID 122215941
9-[4-(4-butyl-2-phenylphenyl)phenyl]-14-[4-(2-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 177063318
1-butyl-2-(3-butylphenyl)benzene
CID 142022154

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene?
The IUPAC name of 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene (CID 67893585) is 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene.
What is the SMILES notation for 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene?
The canonical SMILES for 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene is CCCCc1ccc(-c2ccccc2)c(-c2cccc(F)c2)c1.
What is the InChIKey of 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene?
The InChIKey is FBYKSTWCMQSBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F/c1-2-3-8-17-13-14-21(18-9-5-4-6-10-18)22(15-17)19-11-7-12-20(23)16-19/h4-7,9-16H,2-3,8H2,1H3.
What are the key properties of 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene?
4-butyl-2-(3-fluorophenyl)-1-phenylbenzene has a molecular weight of 304.41 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(3-fluorophenyl)-1-phenylbenzene is sourced from PubChem (CID 67893585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).