cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol

C14H15F3O2 — CID 107105027

IUPACcyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(C1=CCCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H15F3O2/c15-14(16,17)19-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h4-5,7-9,13,18H,1-3,6H2
InChIKeySPHYSQHMTCNFEA-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.12
Rot. Bonds3

About cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol

cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 107105027) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID107105027
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Namecyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(C1=CCCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H15F3O2/c15-14(16,17)19-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h4-5,7-9,13,18H,1-3,6H2
InChIKeySPHYSQHMTCNFEA-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.12
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-phenoxyphenyl)methanol
CID 106651003
[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol
CID 106650934
[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
CID 106651033
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 105096572
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63894130
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol (CID 107105027) is cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol is OC(C1=CCCCC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is SPHYSQHMTCNFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c15-14(16,17)19-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h4-5,7-9,13,18H,1-3,6H2.
What are the key properties of cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol?
cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 272.27 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 107105027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).