1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene

C25H31F3O — CID 67613693

IUPAC1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1
InChIInChI=1S/C25H31F3O/c1-2-6-19-9-11-20(12-10-19)13-18-24(21-7-4-3-5-8-21)29-23-16-14-22(15-17-23)25(26,27)28/h3-5,7-8,14-17,19-20,24H,2,6,9-13,18H2,1H3
InChIKeyMMTGVTFJHNYXHU-UHFFFAOYSA-N
MW404.52 g/mol
LogP8.21
Rot. Bonds8

About 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene

1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene (PubChem CID 67613693) has the molecular formula C25H31F3O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene
PubChem CID67613693
Molecular FormulaC25H31F3O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1
InChIInChI=1S/C25H31F3O/c1-2-6-19-9-11-20(12-10-19)13-18-24(21-7-4-3-5-8-21)29-23-16-14-22(15-17-23)25(26,27)28/h3-5,7-8,14-17,19-20,24H,2,6,9-13,18H2,1H3
InChIKeyMMTGVTFJHNYXHU-UHFFFAOYSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene (CID 67613693) is 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene is CCCC1CCC(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1.
What is the InChIKey of 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene?
The InChIKey is MMTGVTFJHNYXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3O/c1-2-6-19-9-11-20(12-10-19)13-18-24(21-7-4-3-5-8-21)29-23-16-14-22(15-17-23)25(26,27)28/h3-5,7-8,14-17,19-20,24H,2,6,9-13,18H2,1H3.
What are the key properties of 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene?
1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene has a molecular weight of 404.52 g/mol, XLogP of 8.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 67613693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).