1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene

C15H21FO — CID 70967394

IUPAC1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
SMILESCOC1(Cc2ccc(F)cc2)CCC(C)CC1
InChIInChI=1S/C15H21FO/c1-12-7-9-15(17-2,10-8-12)11-13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyZJSFKKNSXCRQIM-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.96
Rot. Bonds3

About 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene

1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene (PubChem CID 70967394) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
PubChem CID70967394
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
SMILESCOC1(Cc2ccc(F)cc2)CCC(C)CC1
InChIInChI=1S/C15H21FO/c1-12-7-9-15(17-2,10-8-12)11-13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyZJSFKKNSXCRQIM-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631
1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 142809976
[2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane
CID 143149589
1,3-difluoro-5-[(1-methoxy-4-methylcyclohexyl)methyl]benzene;1,2-difluoro-3-[(4-methylcyclohexyl)methyl]benzene;ethane;methoxymethane
CID 142810008
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol
CID 79333953
4-[(4-methoxypiperidin-4-yl)methyl]phenol
CID 105477714
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
1-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-4-fluorobenzene
CID 66050671
1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
CID 177366881
1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 62108000

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene (CID 70967394) is 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene is COC1(Cc2ccc(F)cc2)CCC(C)CC1.
What is the InChIKey of 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
The InChIKey is ZJSFKKNSXCRQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-12-7-9-15(17-2,10-8-12)11-13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene has a molecular weight of 236.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 70967394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).