2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene

C29H32ClF — CID 102152467

IUPAC2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(F)cc4)c(Cl)c3)cc2)CC1
InChIInChI=1S/C29H32ClF/c1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)26-16-19-28(29(30)20-26)25-14-17-27(31)18-15-25/h10-22H,2-9H2,1H3
InChIKeyXOTBNZGHQXODLR-UHFFFAOYSA-N
MW435.03 g/mol
LogP9.67
Rot. Bonds7

About 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene

2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 102152467) has the molecular formula C29H32ClF and a molecular weight of 435.03 g/mol. Its IUPAC name is 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID102152467
Molecular FormulaC29H32ClF
Molecular Weight435.03 g/mol
Exact Mass434.22
IUPAC Name2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(F)cc4)c(Cl)c3)cc2)CC1
InChIInChI=1S/C29H32ClF/c1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)26-16-19-28(29(30)20-26)25-14-17-27(31)18-15-25/h10-22H,2-9H2,1H3
InChIKeyXOTBNZGHQXODLR-UHFFFAOYSA-N
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.03
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[2-chloro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
CID 138691001
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1-chloro-2-[4-(4-dodecylcyclohexyl)phenyl]benzene
CID 139911109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 160557859
tris(4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);tris(4-[4-(4-ethylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);bis(2-fluoro-1-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene)
CID 160613322
2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine
CID 18650826

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene (CID 102152467) is 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(F)cc4)c(Cl)c3)cc2)CC1.
What is the InChIKey of 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is XOTBNZGHQXODLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClF/c1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)26-16-19-28(29(30)20-26)25-14-17-27(31)18-15-25/h10-22H,2-9H2,1H3.
What are the key properties of 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene has a molecular weight of 435.03 g/mol, XLogP of 9.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 102152467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).