1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol

C16H21FO — CID 106657561

IUPAC1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)/C1=C/CCCCCC1
InChIInChI=1S/C16H21FO/c17-15-10-6-7-13(11-15)12-16(18)14-8-4-2-1-3-5-9-14/h6-8,10-11,16,18H,1-5,9,12H2/b14-8+
InChIKeyFRQSOFCYSJOROU-RIYZIHGNSA-N
MW248.34 g/mol
LogP4.01
Rot. Bonds3

About 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol

1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol (PubChem CID 106657561) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol
PubChem CID106657561
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)/C1=C/CCCCCC1
InChIInChI=1S/C16H21FO/c17-15-10-6-7-13(11-15)12-16(18)14-8-4-2-1-3-5-9-14/h6-8,10-11,16,18H,1-5,9,12H2/b14-8+
InChIKeyFRQSOFCYSJOROU-RIYZIHGNSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.01
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

[1-[(1E)-cycloocten-1-yl]-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648712
[1-(cyclohepten-1-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648713
1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol
CID 106657597
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 106652697
2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
CID 103303315
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 61101540
5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 66041314
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol (CID 106657561) is 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol is OC(Cc1cccc(F)c1)/C1=C/CCCCCC1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol?
The InChIKey is FRQSOFCYSJOROU-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H21FO/c17-15-10-6-7-13(11-15)12-16(18)14-8-4-2-1-3-5-9-14/h6-8,10-11,16,18H,1-5,9,12H2/b14-8+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol?
1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol has a molecular weight of 248.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 106657561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).