1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene

C30H41FO — CID 21265269

IUPAC1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene
SMILESCCCOCC1CCC(c2ccc(-c3ccc(C4CCC(CCF)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H41FO/c1-2-21-32-22-24-5-9-26(10-6-24)28-13-17-30(18-14-28)29-15-11-27(12-16-29)25-7-3-23(4-8-25)19-20-31/h11-18,23-26H,2-10,19-22H2,1H3
InChIKeyDYMBFVLMYHMZQB-UHFFFAOYSA-N
MW436.66 g/mol
LogP8.69
Rot. Bonds9

About 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene

1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene (PubChem CID 21265269) has the molecular formula C30H41FO and a molecular weight of 436.66 g/mol. Its IUPAC name is 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene
PubChem CID21265269
Molecular FormulaC30H41FO
Molecular Weight436.66 g/mol
Exact Mass436.31
IUPAC Name1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene
SMILESCCCOCC1CCC(c2ccc(-c3ccc(C4CCC(CCF)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H41FO/c1-2-21-32-22-24-5-9-26(10-6-24)28-13-17-30(18-14-28)29-15-11-27(12-16-29)25-7-3-23(4-8-25)19-20-31/h11-18,23-26H,2-10,19-22H2,1H3
InChIKeyDYMBFVLMYHMZQB-UHFFFAOYSA-N
XLogP8.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.66
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene with MolForge

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Related Compounds

1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
[4-(4-cyano-3,5-difluorophenyl)phenyl] 4-[4-(propoxymethyl)cyclohexyl]benzoate
CID 18913757
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene (CID 21265269) is 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene is CCCOCC1CCC(c2ccc(-c3ccc(C4CCC(CCF)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene?
The InChIKey is DYMBFVLMYHMZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41FO/c1-2-21-32-22-24-5-9-26(10-6-24)28-13-17-30(18-14-28)29-15-11-27(12-16-29)25-7-3-23(4-8-25)19-20-31/h11-18,23-26H,2-10,19-22H2,1H3.
What are the key properties of 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene?
1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene has a molecular weight of 436.66 g/mol, XLogP of 8.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 21265269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).