[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol

C17H24O2 — CID 106650934

IUPAC[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)/C2=C/CCCCCC2)c1
InChIInChI=1S/C17H24O2/c1-2-19-16-12-8-11-15(13-16)17(18)14-9-6-4-3-5-7-10-14/h8-9,11-13,17-18H,2-7,10H2,1H3/b14-9+
InChIKeyIQBKFVSHYCNGEK-NTEUORMPSA-N
MW260.38 g/mol
LogP4.40
Rot. Bonds4

About [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol

[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol (PubChem CID 106650934) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol
PubChem CID106650934
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)/C2=C/CCCCCC2)c1
InChIInChI=1S/C17H24O2/c1-2-19-16-12-8-11-15(13-16)17(18)14-9-6-4-3-5-7-10-14/h8-9,11-13,17-18H,2-7,10H2,1H3/b14-9+
InChIKeyIQBKFVSHYCNGEK-NTEUORMPSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.40
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

cyclohexen-1-yl-(4-ethoxyphenyl)methanol
CID 55033893
cyclohexen-1-yl-(3-phenoxyphenyl)methanol
CID 106651003
cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 107105027
[(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol
CID 106650925
(4-butoxyphenyl)-(cyclohepten-1-yl)methanol
CID 106657772
(2,4-dimethylphenyl)-(3-ethoxyphenyl)methanol
CID 62802337
N-[[(1E)-cycloocten-1-yl]-(3-methoxyphenyl)methyl]ethanamine
CID 106652417
chloro-(3-ethoxyphenyl)methanol
CID 141156919
(3-ethoxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115827523
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
(3-ethoxyphenyl)-(furan-3-yl)methanol
CID 63948949

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol (CID 106650934) is [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol is CCOc1cccc(C(O)/C2=C/CCCCCC2)c1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol?
The InChIKey is IQBKFVSHYCNGEK-NTEUORMPSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-19-16-12-8-11-15(13-16)17(18)14-9-6-4-3-5-7-10-14/h8-9,11-13,17-18H,2-7,10H2,1H3/b14-9+.
What are the key properties of [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol?
[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol has a molecular weight of 260.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol is sourced from PubChem (CID 106650934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).