1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol

C17H24O — CID 106650804

IUPAC1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(C)(O)/C2=C/CCCCCC2)c1
InChIInChI=1S/C17H24O/c1-14-9-8-12-16(13-14)17(2,18)15-10-6-4-3-5-7-11-15/h8-10,12-13,18H,3-7,11H2,1-2H3/b15-10+
InChIKeyHBLMMIZBYKUHEM-XNTDXEJSSA-N
MW244.38 g/mol
LogP4.48
Rot. Bonds2

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

1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol (PubChem CID 106650804) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol
PubChem CID106650804
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(C)(O)/C2=C/CCCCCC2)c1
InChIInChI=1S/C17H24O/c1-14-9-8-12-16(13-14)17(2,18)15-10-6-4-3-5-7-11-15/h8-10,12-13,18H,3-7,11H2,1-2H3/b15-10+
InChIKeyHBLMMIZBYKUHEM-XNTDXEJSSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.48
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-Phenyl-2-propanol
CID 12053
1-Phenylethanol
CID 7409
Propofol
CID 4943
Cumene Hydroperoxide
CID 6629
Dicumyl peroxide
CID 6641
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
2-Methyl-1-phenyl-2-propanol
CID 7531
p-Cymen-8-ol
CID 14529
2,6-Di-sec-butylphenol
CID 21685

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol (CID 106650804) is 1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol is Cc1cccc(C(C)(O)/C2=C/CCCCCC2)c1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol?
The InChIKey is HBLMMIZBYKUHEM-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H24O/c1-14-9-8-12-16(13-14)17(2,18)15-10-6-4-3-5-7-11-15/h8-10,12-13,18H,3-7,11H2,1-2H3/b15-10+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol?
1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol has a molecular weight of 244.38 g/mol, XLogP of 4.48, 2 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]-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 106650804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).