[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol

C16H19F3O2 — CID 106651033

IUPAC[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
SMILESOC(/C1=C/CCCCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H19F3O2/c17-16(18,19)21-14-11-7-6-10-13(14)15(20)12-8-4-2-1-3-5-9-12/h6-8,10-11,15,20H,1-5,9H2/b12-8+
InChIKeyOOPMHAPAYVJLHC-XYOKQWHBSA-N
MW300.32 g/mol
LogP4.90
Rot. Bonds3

About [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol

[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 106651033) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID106651033
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
SMILESOC(/C1=C/CCCCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H19F3O2/c17-16(18,19)21-14-11-7-6-10-13(14)15(20)12-8-4-2-1-3-5-9-12/h6-8,10-11,15,20H,1-5,9H2/b12-8+
InChIKeyOOPMHAPAYVJLHC-XYOKQWHBSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 107105027
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol
CID 106651325
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
(3,5-dibromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107978305
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
[(1E)-cycloocten-1-yl]-(4-fluoro-2-methylphenyl)methanol
CID 106651066
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol (CID 106651033) is [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol is OC(/C1=C/CCCCCC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is OOPMHAPAYVJLHC-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H19F3O2/c17-16(18,19)21-14-11-7-6-10-13(14)15(20)12-8-4-2-1-3-5-9-12/h6-8,10-11,15,20H,1-5,9H2/b12-8+.
What are the key properties of [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol?
[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 300.32 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 106651033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).