cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol

C15H22OS — CID 106651068

IUPACcycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2=CCCCCCC2)c(C)s1
InChIInChI=1S/C15H22OS/c1-11-10-14(12(2)17-11)15(16)13-8-6-4-3-5-7-9-13/h8,10,15-16H,3-7,9H2,1-2H3
InChIKeyDSJHJRPALWMKBX-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.68
Rot. Bonds2

About cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol

cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 106651068) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Namecycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID106651068
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Namecycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2=CCCCCCC2)c(C)s1
InChIInChI=1S/C15H22OS/c1-11-10-14(12(2)17-11)15(16)13-8-6-4-3-5-7-9-13/h8,10,15-16H,3-7,9H2,1-2H3
InChIKeyDSJHJRPALWMKBX-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-cycloocten-1-yl]-(4-fluoro-2-methylphenyl)methanol
CID 106651066
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol
CID 107947929
cycloocten-1-yl-(4,5-dibromothiophen-2-yl)methanol
CID 106651691
cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
CID 106657819
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 63186629
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
CID 106657822

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol (CID 106651068) is cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol is Cc1cc(C(O)C2=CCCCCCC2)c(C)s1.
What is the InChIKey of cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is DSJHJRPALWMKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-11-10-14(12(2)17-11)15(16)13-8-6-4-3-5-7-9-13/h8,10,15-16H,3-7,9H2,1-2H3.
What are the key properties of cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol?
cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 250.41 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 106651068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).