1-benzofuran-5-yl(cyclohexyl)methanone

C15H16O2 — CID 155672493

IUPAC1-benzofuran-5-yl(cyclohexyl)methanone
SMILESO=C(c1ccc2occc2c1)C1CCCCC1
InChIInChI=1S/C15H16O2/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h6-11H,1-5H2
InChIKeySMJDGTJWSVNDQH-UHFFFAOYSA-N
MW228.29 g/mol
LogP4.20
Rot. Bonds2

About 1-benzofuran-5-yl(cyclohexyl)methanone

1-benzofuran-5-yl(cyclohexyl)methanone (PubChem CID 155672493) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-benzofuran-5-yl(cyclohexyl)methanone.

Molecular Properties

Compound Name1-benzofuran-5-yl(cyclohexyl)methanone
PubChem CID155672493
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-benzofuran-5-yl(cyclohexyl)methanone
SMILESO=C(c1ccc2occc2c1)C1CCCCC1
InChIInChI=1S/C15H16O2/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h6-11H,1-5H2
InChIKeySMJDGTJWSVNDQH-UHFFFAOYSA-N
XLogP4.20
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-yl(cyclohexyl)methanone?
The IUPAC name of 1-benzofuran-5-yl(cyclohexyl)methanone (CID 155672493) is 1-benzofuran-5-yl(cyclohexyl)methanone.
What is the SMILES notation for 1-benzofuran-5-yl(cyclohexyl)methanone?
The canonical SMILES for 1-benzofuran-5-yl(cyclohexyl)methanone is O=C(c1ccc2occc2c1)C1CCCCC1.
What is the InChIKey of 1-benzofuran-5-yl(cyclohexyl)methanone?
The InChIKey is SMJDGTJWSVNDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h6-11H,1-5H2.
What are the key properties of 1-benzofuran-5-yl(cyclohexyl)methanone?
1-benzofuran-5-yl(cyclohexyl)methanone has a molecular weight of 228.29 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-yl(cyclohexyl)methanone is sourced from PubChem (CID 155672493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).