3-(6-methoxyhexyl)-1-benzofuran

C15H20O2 — CID 67274703

IUPAC3-(6-methoxyhexyl)-1-benzofuran
SMILESCOCCCCCCc1coc2ccccc12
InChIInChI=1S/C15H20O2/c1-16-11-7-3-2-4-8-13-12-17-15-10-6-5-9-14(13)15/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyNOZCJKXVUJSMJU-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.18
Rot. Bonds7

About 3-(6-methoxyhexyl)-1-benzofuran

3-(6-methoxyhexyl)-1-benzofuran (PubChem CID 67274703) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(6-methoxyhexyl)-1-benzofuran.

Molecular Properties

Compound Name3-(6-methoxyhexyl)-1-benzofuran
PubChem CID67274703
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(6-methoxyhexyl)-1-benzofuran
SMILESCOCCCCCCc1coc2ccccc12
InChIInChI=1S/C15H20O2/c1-16-11-7-3-2-4-8-13-12-17-15-10-6-5-9-14(13)15/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyNOZCJKXVUJSMJU-UHFFFAOYSA-N
XLogP4.18
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.18
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

10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893
10-(1-benzofuran-3-yl)decane-1-sulfonic acid
CID 18415200
1-(4-methoxybutyl)naphthalene
CID 69278949
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
4-(1-benzofuran-3-yl)butane-1-sulfonic acid
CID 18415274
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
methyl 4-(4-oxochromen-3-yl)butanoate
CID 14844821
2-amino-6-(1-benzofuran-3-yl)hexanoic acid
CID 112518542
4-(1-benzofuran-3-yl)butanehydrazide
CID 116843663
7-methoxyheptylbenzene
CID 54276867
N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine
CID 80702779
4-[3-(4-azaniumylbutyl)-2-(1-benzofuran-3-ylmethyl)phenyl]butylazanium dichloride
CID 122129951

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyhexyl)-1-benzofuran?
The IUPAC name of 3-(6-methoxyhexyl)-1-benzofuran (CID 67274703) is 3-(6-methoxyhexyl)-1-benzofuran.
What is the SMILES notation for 3-(6-methoxyhexyl)-1-benzofuran?
The canonical SMILES for 3-(6-methoxyhexyl)-1-benzofuran is COCCCCCCc1coc2ccccc12.
What is the InChIKey of 3-(6-methoxyhexyl)-1-benzofuran?
The InChIKey is NOZCJKXVUJSMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-16-11-7-3-2-4-8-13-12-17-15-10-6-5-9-14(13)15/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of 3-(6-methoxyhexyl)-1-benzofuran?
3-(6-methoxyhexyl)-1-benzofuran has a molecular weight of 232.32 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyhexyl)-1-benzofuran is sourced from PubChem (CID 67274703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).