[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol

C17H22O2 — CID 106657645

IUPAC[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(/C1=C/CCCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H22O2/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-11-19-12-16(15)10-14/h6,8-10,17-18H,1-5,7,11-12H2/b13-6+
InChIKeyHVZFCCVBQSVVMO-AWNIVKPZSA-N
MW258.36 g/mol
LogP4.03
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol

[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol (PubChem CID 106657645) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
PubChem CID106657645
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(/C1=C/CCCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H22O2/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-11-19-12-16(15)10-14/h6,8-10,17-18H,1-5,7,11-12H2/b13-6+
InChIKeyHVZFCCVBQSVVMO-AWNIVKPZSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.03
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(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 55231459
cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 106651079
N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63733717
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol
CID 106651347
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 65023088

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol (CID 106657645) is [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol is OC(/C1=C/CCCCCC1)c1ccc2c(c1)COC2.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The InChIKey is HVZFCCVBQSVVMO-AWNIVKPZSA-N. The full InChI is InChI=1S/C17H22O2/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-11-19-12-16(15)10-14/h6,8-10,17-18H,1-5,7,11-12H2/b13-6+.
What are the key properties of [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol?
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol has a molecular weight of 258.36 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol is sourced from PubChem (CID 106657645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).