4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene

C14H19FO2 — CID 90140548

IUPAC4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
SMILESCOC1CCC(Oc2cc(F)ccc2C)CC1
InChIInChI=1S/C14H19FO2/c1-10-3-4-11(15)9-14(10)17-13-7-5-12(16-2)6-8-13/h3-4,9,12-13H,5-8H2,1-2H3
InChIKeyFLPUYWMHOJMSCY-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.47
Rot. Bonds3

About 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene

4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene (PubChem CID 90140548) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene.

Molecular Properties

Compound Name4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
PubChem CID90140548
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
SMILESCOC1CCC(Oc2cc(F)ccc2C)CC1
InChIInChI=1S/C14H19FO2/c1-10-3-4-11(15)9-14(10)17-13-7-5-12(16-2)6-8-13/h3-4,9,12-13H,5-8H2,1-2H3
InChIKeyFLPUYWMHOJMSCY-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045
3-(5-fluoro-2-methylphenoxy)azetidine
CID 84657893
2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990439
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene
CID 118242707
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene?
The IUPAC name of 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene (CID 90140548) is 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene.
What is the SMILES notation for 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene?
The canonical SMILES for 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene is COC1CCC(Oc2cc(F)ccc2C)CC1.
What is the InChIKey of 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene?
The InChIKey is FLPUYWMHOJMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-10-3-4-11(15)9-14(10)17-13-7-5-12(16-2)6-8-13/h3-4,9,12-13H,5-8H2,1-2H3.
What are the key properties of 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene?
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene has a molecular weight of 238.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene is sourced from PubChem (CID 90140548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).