1-cyclohexyloxy-2-fluoro-3-methylbenzene

C13H17FO — CID 70930096

IUPAC1-cyclohexyloxy-2-fluoro-3-methylbenzene
SMILESCc1cccc(OC2CCCCC2)c1F
InChIInChI=1S/C13H17FO/c1-10-6-5-9-12(13(10)14)15-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyUKNVZCKUSAXFJI-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.85
Rot. Bonds2

About 1-cyclohexyloxy-2-fluoro-3-methylbenzene

1-cyclohexyloxy-2-fluoro-3-methylbenzene (PubChem CID 70930096) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-cyclohexyloxy-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-cyclohexyloxy-2-fluoro-3-methylbenzene
PubChem CID70930096
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-cyclohexyloxy-2-fluoro-3-methylbenzene
SMILESCc1cccc(OC2CCCCC2)c1F
InChIInChI=1S/C13H17FO/c1-10-6-5-9-12(13(10)14)15-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyUKNVZCKUSAXFJI-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
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CID 107661448
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CID 91093858
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
1,2-dicyclohexyloxybenzene
CID 67331328
4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine
CID 114272156
1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
CID 158177850
1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene
CID 130057182
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine
CID 107657388
[1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine
CID 117464146
1-cyclobutyloxy-4-cyclopentyl-2,3-difluorobenzene
CID 153282478

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-2-fluoro-3-methylbenzene?
The IUPAC name of 1-cyclohexyloxy-2-fluoro-3-methylbenzene (CID 70930096) is 1-cyclohexyloxy-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-cyclohexyloxy-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-cyclohexyloxy-2-fluoro-3-methylbenzene is Cc1cccc(OC2CCCCC2)c1F.
What is the InChIKey of 1-cyclohexyloxy-2-fluoro-3-methylbenzene?
The InChIKey is UKNVZCKUSAXFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-10-6-5-9-12(13(10)14)15-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclohexyloxy-2-fluoro-3-methylbenzene?
1-cyclohexyloxy-2-fluoro-3-methylbenzene has a molecular weight of 208.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-2-fluoro-3-methylbenzene is sourced from PubChem (CID 70930096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).