[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol

C15H18F2O — CID 106651011

IUPAC[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
SMILESOC(/C1=C/CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C15H18F2O/c16-12-9-6-10-13(17)14(12)15(18)11-7-4-2-1-3-5-8-11/h6-7,9-10,15,18H,1-5,8H2/b11-7+
InChIKeyWBKAUJZTSOWBJG-YRNVUSSQSA-N
MW252.30 g/mol
LogP4.28
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol

[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol (PubChem CID 106651011) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
PubChem CID106651011
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
SMILESOC(/C1=C/CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C15H18F2O/c16-12-9-6-10-13(17)14(12)15(18)11-7-4-2-1-3-5-8-11/h6-7,9-10,15,18H,1-5,8H2/b11-7+
InChIKeyWBKAUJZTSOWBJG-YRNVUSSQSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol
CID 82815650
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509
1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 55034371
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol
CID 106657648
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohepten-1-yl(thiophen-2-yl)methanol
CID 62077908
(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 106651584
cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433627
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol (CID 106651011) is [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol is OC(/C1=C/CCCCCC1)c1c(F)cccc1F.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol?
The InChIKey is WBKAUJZTSOWBJG-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H18F2O/c16-12-9-6-10-13(17)14(12)15(18)11-7-4-2-1-3-5-8-11/h6-7,9-10,15,18H,1-5,8H2/b11-7+.
What are the key properties of [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol?
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol has a molecular weight of 252.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 106651011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).