[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol

C16H21FO2 — CID 106657566

IUPAC[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)/C2=C/CCCCCC2)ccc1F
InChIInChI=1S/C16H21FO2/c1-19-15-11-13(9-10-14(15)17)16(18)12-7-5-3-2-4-6-8-12/h7,9-11,16,18H,2-6,8H2,1H3/b12-7+
InChIKeyFAEGYRNQMFWDJA-KPKJPENVSA-N
MW264.34 g/mol
LogP4.15
Rot. Bonds3

About [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol

[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol (PubChem CID 106657566) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
PubChem CID106657566
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)/C2=C/CCCCCC2)ccc1F
InChIInChI=1S/C16H21FO2/c1-19-15-11-13(9-10-14(15)17)16(18)12-7-5-3-2-4-6-8-12/h7,9-11,16,18H,2-6,8H2,1H3/b12-7+
InChIKeyFAEGYRNQMFWDJA-KPKJPENVSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 62079642
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
2,3-dihydrofuran-5-yl-(4-fluoro-3-methoxyphenyl)methanol
CID 102653825
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol
CID 106651347
(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol
CID 107991218
cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
CID 106651682
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol (CID 106657566) is [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol is COc1cc(C(O)/C2=C/CCCCCC2)ccc1F.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol?
The InChIKey is FAEGYRNQMFWDJA-KPKJPENVSA-N. The full InChI is InChI=1S/C16H21FO2/c1-19-15-11-13(9-10-14(15)17)16(18)12-7-5-3-2-4-6-8-12/h7,9-11,16,18H,2-6,8H2,1H3/b12-7+.
What are the key properties of [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol?
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol has a molecular weight of 264.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 106657566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).