2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene

C28H39FO — CID 67791114

IUPAC2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene
SMILESCCCCCCC1CCC(COc2ccc(-c3ccc(CCC)cc3)c(F)c2)CC1
InChIInChI=1S/C28H39FO/c1-3-5-6-7-9-23-10-12-24(13-11-23)21-30-26-18-19-27(28(29)20-26)25-16-14-22(8-4-2)15-17-25/h14-20,23-24H,3-13,21H2,1-2H3
InChIKeyZWTSGDLBBBFTHK-UHFFFAOYSA-N
MW410.62 g/mol
LogP8.60
Rot. Bonds11

About 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene

2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene (PubChem CID 67791114) has the molecular formula C28H39FO and a molecular weight of 410.62 g/mol. Its IUPAC name is 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene
PubChem CID67791114
Molecular FormulaC28H39FO
Molecular Weight410.62 g/mol
Exact Mass410.30
IUPAC Name2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene
SMILESCCCCCCC1CCC(COc2ccc(-c3ccc(CCC)cc3)c(F)c2)CC1
InChIInChI=1S/C28H39FO/c1-3-5-6-7-9-23-10-12-24(13-11-23)21-30-26-18-19-27(28(29)20-26)25-16-14-22(8-4-2)15-17-25/h14-20,23-24H,3-13,21H2,1-2H3
InChIKeyZWTSGDLBBBFTHK-UHFFFAOYSA-N
XLogP8.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.62
LogP ≤ 58.60
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

1-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 67901195
5-[4-[4-[difluoro-[2-fluoro-4-[(4-pentylcyclohexyl)methoxy]phenyl]methoxy]-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 59329112
(4-propylphenyl) 4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzoate
CID 18596409
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
CID 158616323
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
1-butyl-4-[2-[4-[(4-pentylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933654
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 121459288
3-(2-fluoro-4-pentoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778897
2-fluoro-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 54120723
2-fluoro-1-[(4-pentylcyclohexyl)methoxy]-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19008189
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine
CID 19859168

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene?
The IUPAC name of 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene (CID 67791114) is 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene.
What is the SMILES notation for 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene?
The canonical SMILES for 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene is CCCCCCC1CCC(COc2ccc(-c3ccc(CCC)cc3)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene?
The InChIKey is ZWTSGDLBBBFTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FO/c1-3-5-6-7-9-23-10-12-24(13-11-23)21-30-26-18-19-27(28(29)20-26)25-16-14-22(8-4-2)15-17-25/h14-20,23-24H,3-13,21H2,1-2H3.
What are the key properties of 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene?
2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene has a molecular weight of 410.62 g/mol, XLogP of 8.60, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene is sourced from PubChem (CID 67791114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).