2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene

C24H24F2O — CID 23391170

IUPAC2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OC)cc3)cc2F)cc1F
InChIInChI=1S/C24H24F2O/c1-3-4-5-6-18-7-8-20(16-23(18)25)22-14-11-19(15-24(22)26)17-9-12-21(27-2)13-10-17/h7-16H,3-6H2,1-2H3
InChIKeyOAVDKUBVUYHAHO-UHFFFAOYSA-N
MW366.45 g/mol
LogP7.04
Rot. Bonds7

About 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene

2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene (PubChem CID 23391170) has the molecular formula C24H24F2O and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
PubChem CID23391170
Molecular FormulaC24H24F2O
Molecular Weight366.45 g/mol
Exact Mass366.18
IUPAC Name2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OC)cc3)cc2F)cc1F
InChIInChI=1S/C24H24F2O/c1-3-4-5-6-18-7-8-20(16-23(18)25)22-14-11-19(15-24(22)26)17-9-12-21(27-2)13-10-17/h7-16H,3-6H2,1-2H3
InChIKeyOAVDKUBVUYHAHO-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
4-[3-fluoro-4-(3-heptyl-4-hydroxyphenyl)phenyl]-2-heptylphenol
CID 135247842
4-[4-[4-[difluoro-(4-pentylphenyl)methoxy]phenyl]-2-fluorophenyl]-2-fluoro-1-[3-fluoro-4-(2-fluoroethyl)phenyl]benzene
CID 59329668
[2-fluoro-4-(4-methoxyphenyl)phenyl]methanol
CID 11207006
2-[difluoro-[3-fluoro-4-[3-fluoro-4-(2-fluoroethyl)phenyl]phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 59329784
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
2-[difluoro-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(fluoromethyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 59329135
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene?
The IUPAC name of 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene (CID 23391170) is 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene.
What is the SMILES notation for 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene?
The canonical SMILES for 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(OC)cc3)cc2F)cc1F.
What is the InChIKey of 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene?
The InChIKey is OAVDKUBVUYHAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O/c1-3-4-5-6-18-7-8-20(16-23(18)25)22-14-11-19(15-24(22)26)17-9-12-21(27-2)13-10-17/h7-16H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene?
2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene has a molecular weight of 366.45 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene is sourced from PubChem (CID 23391170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).