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

C15H21FO — CID 107171488

IUPAC4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene
SMILESCc1ccc(OC2CCC(C)C(C)C2)cc1F
InChIInChI=1S/C15H21FO/c1-10-4-6-13(8-12(10)3)17-14-7-5-11(2)15(16)9-14/h5,7,9-10,12-13H,4,6,8H2,1-3H3
InChIKeyZJBBPZSYCJJSMW-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.34
Rot. Bonds2

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

4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene (PubChem CID 107171488) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene
PubChem CID107171488
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene
SMILESCc1ccc(OC2CCC(C)C(C)C2)cc1F
InChIInChI=1S/C15H21FO/c1-10-4-6-13(8-12(10)3)17-14-7-5-11(2)15(16)9-14/h5,7,9-10,12-13H,4,6,8H2,1-3H3
InChIKeyZJBBPZSYCJJSMW-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-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
CID 107168914
potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide
CID 83137073
1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine
CID 107717054
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560
[2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine
CID 107275256
2-amino-4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 113419910
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
4-(3-chloro-2-methoxycyclobutyl)oxy-2-fluoro-1-methylbenzene
CID 107171631

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene (CID 107171488) is 4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene is Cc1ccc(OC2CCC(C)C(C)C2)cc1F.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene?
The InChIKey is ZJBBPZSYCJJSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-10-4-6-13(8-12(10)3)17-14-7-5-11(2)15(16)9-14/h5,7,9-10,12-13H,4,6,8H2,1-3H3.
What are the key properties of 4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene?
4-(3,4-dimethylcyclohexyl)oxy-2-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 4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene is sourced from PubChem (CID 107171488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).