1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol

C18H26O — CID 106657597

IUPAC1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)/C2=C/CCCCCC2)c1
InChIInChI=1S/C18H26O/c1-14-10-11-15(2)17(12-14)13-18(19)16-8-6-4-3-5-7-9-16/h8,10-12,18-19H,3-7,9,13H2,1-2H3/b16-8+
InChIKeyCFBRFDIEDQKFJF-LZYBPNLTSA-N
MW258.40 g/mol
LogP4.49
Rot. Bonds3

About 1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol

1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol (PubChem CID 106657597) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol
PubChem CID106657597
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)/C2=C/CCCCCC2)c1
InChIInChI=1S/C18H26O/c1-14-10-11-15(2)17(12-14)13-18(19)16-8-6-4-3-5-7-9-16/h8,10-12,18-19H,3-7,9,13H2,1-2H3/b16-8+
InChIKeyCFBRFDIEDQKFJF-LZYBPNLTSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.49
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

N-[1-(cyclohexen-1-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 63505635
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol
CID 106657648
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol
CID 106657561
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-[(1E)-cycloocten-1-yl]-2-(2-methylphenyl)ethanamine
CID 106652690
1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol
CID 106657625
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(cyclohexen-1-yl)-2-methylsulfanylethanol
CID 106657946
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 62538036

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol (CID 106657597) is 1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(CC(O)/C2=C/CCCCCC2)c1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is CFBRFDIEDQKFJF-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H26O/c1-14-10-11-15(2)17(12-14)13-18(19)16-8-6-4-3-5-7-9-16/h8,10-12,18-19H,3-7,9,13H2,1-2H3/b16-8+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol?
1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol has a molecular weight of 258.40 g/mol, XLogP of 4.49, 3 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]-2-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 106657597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).