3-(cyclobutylmethyl)-1-benzofuran

C13H14O — CID 145054198

IUPAC3-(cyclobutylmethyl)-1-benzofuran
SMILESc1ccc2c(CC3CCC3)coc2c1
InChIInChI=1S/C13H14O/c1-2-7-13-12(6-1)11(9-14-13)8-10-4-3-5-10/h1-2,6-7,9-10H,3-5,8H2
InChIKeyRUJWJIUGGLHFDU-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.78
Rot. Bonds2

About 3-(cyclobutylmethyl)-1-benzofuran

3-(cyclobutylmethyl)-1-benzofuran (PubChem CID 145054198) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-1-benzofuran.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-1-benzofuran
PubChem CID145054198
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name3-(cyclobutylmethyl)-1-benzofuran
SMILESc1ccc2c(CC3CCC3)coc2c1
InChIInChI=1S/C13H14O/c1-2-7-13-12(6-1)11(9-14-13)8-10-4-3-5-10/h1-2,6-7,9-10H,3-5,8H2
InChIKeyRUJWJIUGGLHFDU-UHFFFAOYSA-N
XLogP3.78
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-benzofuran-3-ylmethyl)azetidine
CID 80700831
2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine
CID 116926610
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83009936
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
CID 103826314
[1-(1-benzofuran-3-yl)-2-cyclobutylethyl]hydrazine
CID 105262478
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
3-(naphthalen-1-ylmethyl)-1-benzofuran
CID 132539369

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-1-benzofuran?
The IUPAC name of 3-(cyclobutylmethyl)-1-benzofuran (CID 145054198) is 3-(cyclobutylmethyl)-1-benzofuran.
What is the SMILES notation for 3-(cyclobutylmethyl)-1-benzofuran?
The canonical SMILES for 3-(cyclobutylmethyl)-1-benzofuran is c1ccc2c(CC3CCC3)coc2c1.
What is the InChIKey of 3-(cyclobutylmethyl)-1-benzofuran?
The InChIKey is RUJWJIUGGLHFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-2-7-13-12(6-1)11(9-14-13)8-10-4-3-5-10/h1-2,6-7,9-10H,3-5,8H2.
What are the key properties of 3-(cyclobutylmethyl)-1-benzofuran?
3-(cyclobutylmethyl)-1-benzofuran has a molecular weight of 186.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-1-benzofuran is sourced from PubChem (CID 145054198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).