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

C15H21FO — CID 102990440

IUPAC2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
SMILESCCC1CCC(Oc2cc(F)ccc2C)CC1
InChIInChI=1S/C15H21FO/c1-3-12-5-8-14(9-6-12)17-15-10-13(16)7-4-11(15)2/h4,7,10,12,14H,3,5-6,8-9H2,1-2H3
InChIKeyMQNCJROJIPEBAF-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.48
Rot. Bonds3

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

2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene (PubChem CID 102990440) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
PubChem CID102990440
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
SMILESCCC1CCC(Oc2cc(F)ccc2C)CC1
InChIInChI=1S/C15H21FO/c1-3-12-5-8-14(9-6-12)17-15-10-13(16)7-4-11(15)2/h4,7,10,12,14H,3,5-6,8-9H2,1-2H3
InChIKeyMQNCJROJIPEBAF-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethylcyclohexyl)oxy-4-methylaniline
CID 64749047
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
3-(5-fluoro-2-methylphenoxy)azetidine
CID 84657893
1-(4-ethylcyclohexyl)oxy-3-fluorobenzene
CID 64766217
2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990439
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
1-(4-ethylcyclohexyl)oxy-2-iodobenzene
CID 64747905
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene?
The IUPAC name of 2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene (CID 102990440) is 2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene is CCC1CCC(Oc2cc(F)ccc2C)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene?
The InChIKey is MQNCJROJIPEBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-3-12-5-8-14(9-6-12)17-15-10-13(16)7-4-11(15)2/h4,7,10,12,14H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene?
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene has a molecular weight of 236.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene is sourced from PubChem (CID 102990440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).