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

C17H20O2 — CID 106655875

IUPAC[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(/C1=C/CCCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H20O2/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-11-19-12-16(15)10-14/h6,8-10H,1-5,7,11-12H2/b13-6+
InChIKeySHVLZZDKHXJBBO-AWNIVKPZSA-N
MW256.34 g/mol
LogP4.18
Rot. Bonds2

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

[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone (PubChem CID 106655875) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
PubChem CID106655875
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(/C1=C/CCCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H20O2/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-11-19-12-16(15)10-14/h6,8-10H,1-5,7,11-12H2/b13-6+
InChIKeySHVLZZDKHXJBBO-AWNIVKPZSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone (CID 106655875) is [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone is O=C(/C1=C/CCCCCC1)c1ccc2c(c1)COC2.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The InChIKey is SHVLZZDKHXJBBO-AWNIVKPZSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-11-19-12-16(15)10-14/h6,8-10H,1-5,7,11-12H2/b13-6+.
What are the key properties of [(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone?
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone has a molecular weight of 256.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 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)methanone is sourced from PubChem (CID 106655875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).