1-(1-benzofuran-5-yl)octan-1-one

C16H20O2 — CID 155672495

IUPAC1-(1-benzofuran-5-yl)octan-1-one
SMILESCCCCCCCC(=O)c1ccc2occc2c1
InChIInChI=1S/C16H20O2/c1-2-3-4-5-6-7-15(17)13-8-9-16-14(12-13)10-11-18-16/h8-12H,2-7H2,1H3
InChIKeyMHCIQTKHHSAKND-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.98
Rot. Bonds7

About 1-(1-benzofuran-5-yl)octan-1-one

1-(1-benzofuran-5-yl)octan-1-one (PubChem CID 155672495) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)octan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)octan-1-one
PubChem CID155672495
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(1-benzofuran-5-yl)octan-1-one
SMILESCCCCCCCC(=O)c1ccc2occc2c1
InChIInChI=1S/C16H20O2/c1-2-3-4-5-6-7-15(17)13-8-9-16-14(12-13)10-11-18-16/h8-12H,2-7H2,1H3
InChIKeyMHCIQTKHHSAKND-UHFFFAOYSA-N
XLogP4.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
1-(18-nonanoyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl)nonan-1-one
CID 118288594
1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 90363608
1-benzofuran-5-carbonyl iodide
CID 143843606
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
CID 172711928
1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one
CID 68906004

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)octan-1-one?
The IUPAC name of 1-(1-benzofuran-5-yl)octan-1-one (CID 155672495) is 1-(1-benzofuran-5-yl)octan-1-one.
What is the SMILES notation for 1-(1-benzofuran-5-yl)octan-1-one?
The canonical SMILES for 1-(1-benzofuran-5-yl)octan-1-one is CCCCCCCC(=O)c1ccc2occc2c1.
What is the InChIKey of 1-(1-benzofuran-5-yl)octan-1-one?
The InChIKey is MHCIQTKHHSAKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-2-3-4-5-6-7-15(17)13-8-9-16-14(12-13)10-11-18-16/h8-12H,2-7H2,1H3.
What are the key properties of 1-(1-benzofuran-5-yl)octan-1-one?
1-(1-benzofuran-5-yl)octan-1-one has a molecular weight of 244.33 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)octan-1-one is sourced from PubChem (CID 155672495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).