[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol

C16H21FO — CID 106657529

IUPAC[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)/C2=C/CCCCCC2)c1F
InChIInChI=1S/C16H21FO/c1-12-8-7-11-14(15(12)17)16(18)13-9-5-3-2-4-6-10-13/h7-9,11,16,18H,2-6,10H2,1H3/b13-9+
InChIKeyQECZCYRNLGCZJI-UKTHLTGXSA-N
MW248.34 g/mol
LogP4.45
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol

[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol (PubChem CID 106657529) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
PubChem CID106657529
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)/C2=C/CCCCCC2)c1F
InChIInChI=1S/C16H21FO/c1-12-8-7-11-14(15(12)17)16(18)13-9-5-3-2-4-6-10-13/h7-9,11,16,18H,2-6,10H2,1H3/b13-9+
InChIKeyQECZCYRNLGCZJI-UKTHLTGXSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.45
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

(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
[(1E)-cycloocten-1-yl]-(4-fluoro-2-methylphenyl)methanol
CID 106651066
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol
CID 82815650
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
CID 106651033
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 106651068
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
CID 107982012
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol (CID 106657529) is [(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol is Cc1cccc(C(O)/C2=C/CCCCCC2)c1F.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol?
The InChIKey is QECZCYRNLGCZJI-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H21FO/c1-12-8-7-11-14(15(12)17)16(18)13-9-5-3-2-4-6-10-13/h7-9,11,16,18H,2-6,10H2,1H3/b13-9+.
What are the key properties of [(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol?
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol has a molecular weight of 248.34 g/mol, XLogP of 4.45, 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-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 106657529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).