2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene

C14H19FO — CID 59117163

IUPAC2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
SMILESCc1cccc(F)c1OCC1CCCCC1
InChIInChI=1S/C14H19FO/c1-11-6-5-9-13(15)14(11)16-10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyJALOBRXLVCUPCI-UHFFFAOYSA-N
MW222.30 g/mol
LogP4.09
Rot. Bonds3

About 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene

2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene (PubChem CID 59117163) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
PubChem CID59117163
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
SMILESCc1cccc(F)c1OCC1CCCCC1
InChIInChI=1S/C14H19FO/c1-11-6-5-9-13(15)14(11)16-10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyJALOBRXLVCUPCI-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane
CID 142399346
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608444
2-(cyclohexylmethoxy)-3-fluorobenzoic acid
CID 62650140
1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608312
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
2-(cyclohexylmethoxy)-3,4-difluoroaniline
CID 62531491
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
2-(cyclopropylmethoxy)-3-fluorobenzoic acid
CID 62650953

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene?
The IUPAC name of 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene (CID 59117163) is 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene.
What is the SMILES notation for 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene?
The canonical SMILES for 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene is Cc1cccc(F)c1OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene?
The InChIKey is JALOBRXLVCUPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-11-6-5-9-13(15)14(11)16-10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene?
2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene has a molecular weight of 222.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene is sourced from PubChem (CID 59117163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).