1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

C17H23F3O — CID 65153807

IUPAC1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)c1ccc(CC2(O)CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C17H23F3O/c1-12(2)14-5-3-13(4-6-14)11-16(21)9-7-15(8-10-16)17(18,19)20/h3-6,12,15,21H,7-11H2,1-2H3
InChIKeyWPXMHGFFUYGNSX-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.84
Rot. Bonds3

About 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65153807) has the molecular formula C17H23F3O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65153807
Molecular FormulaC17H23F3O
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)c1ccc(CC2(O)CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C17H23F3O/c1-12(2)14-5-3-13(4-6-14)11-16(21)9-7-15(8-10-16)17(18,19)20/h3-6,12,15,21H,7-11H2,1-2H3
InChIKeyWPXMHGFFUYGNSX-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
CID 65147469
3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65154218
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756511
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883412
1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
CID 117302989
1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
CID 117325494
4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365757
2-methoxy-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 106873705
1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol
CID 115401282

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 65153807) is 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is CC(C)c1ccc(CC2(O)CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WPXMHGFFUYGNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3O/c1-12(2)14-5-3-13(4-6-14)11-16(21)9-7-15(8-10-16)17(18,19)20/h3-6,12,15,21H,7-11H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 300.36 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65153807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).