2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene

C15H21FO — CID 102990439

IUPAC2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1OC1CC(C)CC(C)C1
InChIInChI=1S/C15H21FO/c1-10-6-11(2)8-14(7-10)17-15-9-13(16)5-4-12(15)3/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyYSWMUXYWSWTKMW-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.34
Rot. Bonds2

About 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene

2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene (PubChem CID 102990439) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
PubChem CID102990439
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1OC1CC(C)CC(C)C1
InChIInChI=1S/C15H21FO/c1-10-6-11(2)8-14(7-10)17-15-9-13(16)5-4-12(15)3/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyYSWMUXYWSWTKMW-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-fluoro-2-methylphenoxy)azetidine
CID 84657893
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 102981126
N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 64722393
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440
2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine
CID 107700340
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
3-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]prop-2-yn-1-ol
CID 64731121
1-fluoro-3-(3-methylcyclobutyl)oxybenzene
CID 142422559

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene (CID 102990439) is 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene is Cc1ccc(F)cc1OC1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene?
The InChIKey is YSWMUXYWSWTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-10-6-11(2)8-14(7-10)17-15-9-13(16)5-4-12(15)3/h4-5,9-11,14H,6-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene?
2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene has a molecular weight of 236.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene is sourced from PubChem (CID 102990439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).