2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol

C17H23FO — CID 106651664

IUPAC2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)/C1=C/CCCCCC1
InChIInChI=1S/C17H23FO/c1-17(19,13-14-9-11-16(18)12-10-14)15-7-5-3-2-4-6-8-15/h7,9-12,19H,2-6,8,13H2,1H3/b15-7+
InChIKeyAGPBVQWZYMDSOC-VIZOYTHASA-N
MW262.37 g/mol
LogP4.40
Rot. Bonds3

About 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol

2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol (PubChem CID 106651664) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
PubChem CID106651664
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)/C1=C/CCCCCC1
InChIInChI=1S/C17H23FO/c1-17(19,13-14-9-11-16(18)12-10-14)15-7-5-3-2-4-6-8-15/h7,9-12,19H,2-6,8,13H2,1H3/b15-7+
InChIKeyAGPBVQWZYMDSOC-VIZOYTHASA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.40
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

2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901
2-[(1E)-cycloocten-1-yl]-1-(2-fluorophenyl)propan-2-ol
CID 106651662
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-cyclohexyl-1-(4-fluorophenyl)propan-2-ol
CID 114794899
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
CID 106651627
2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
CID 106654928
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol
CID 106651344
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
1-(cyclohepten-1-yl)-1-fluoroethanamine
CID 105430737

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol (CID 106651664) is 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol is CC(O)(Cc1ccc(F)cc1)/C1=C/CCCCCC1.
What is the InChIKey of 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol?
The InChIKey is AGPBVQWZYMDSOC-VIZOYTHASA-N. The full InChI is InChI=1S/C17H23FO/c1-17(19,13-14-9-11-16(18)12-10-14)15-7-5-3-2-4-6-8-15/h7,9-12,19H,2-6,8,13H2,1H3/b15-7+.
What are the key properties of 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol?
2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol has a molecular weight of 262.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 106651664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).