1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one

C14H18O2 — CID 25187486

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
SMILESCCCCCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H18O2/c1-2-3-4-5-14(15)11-6-7-12-9-16-10-13(12)8-11/h6-8H,2-5,9-10H2,1H3
InChIKeyDBQSXNKMXZCYGM-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.48
Rot. Bonds5

About 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one

1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one (PubChem CID 25187486) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
PubChem CID25187486
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
SMILESCCCCCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H18O2/c1-2-3-4-5-14(15)11-6-7-12-9-16-10-13(12)8-11/h6-8H,2-5,9-10H2,1H3
InChIKeyDBQSXNKMXZCYGM-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.48
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-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63742331
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
CID 114974112
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024345
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one (CID 25187486) is 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one is CCCCCC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one?
The InChIKey is DBQSXNKMXZCYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-4-5-14(15)11-6-7-12-9-16-10-13(12)8-11/h6-8H,2-5,9-10H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one?
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one is sourced from PubChem (CID 25187486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).