6-(propan-2-yloxymethyl)-1-benzofuran

C12H14O2 — CID 171518537

IUPAC6-(propan-2-yloxymethyl)-1-benzofuran
SMILESCC(C)OCc1ccc2ccoc2c1
InChIInChI=1S/C12H14O2/c1-9(2)14-8-10-3-4-11-5-6-13-12(11)7-10/h3-7,9H,8H2,1-2H3
InChIKeyNIXFWJZMAGBZNK-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.36
Rot. Bonds3

About 6-(propan-2-yloxymethyl)-1-benzofuran

6-(propan-2-yloxymethyl)-1-benzofuran (PubChem CID 171518537) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-(propan-2-yloxymethyl)-1-benzofuran.

Molecular Properties

Compound Name6-(propan-2-yloxymethyl)-1-benzofuran
PubChem CID171518537
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-(propan-2-yloxymethyl)-1-benzofuran
SMILESCC(C)OCc1ccc2ccoc2c1
InChIInChI=1S/C12H14O2/c1-9(2)14-8-10-3-4-11-5-6-13-12(11)7-10/h3-7,9H,8H2,1-2H3
InChIKeyNIXFWJZMAGBZNK-UHFFFAOYSA-N
XLogP3.36
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(propan-2-yloxymethyl)-1-benzofuran
CID 166645966
2,7-bis(propan-2-yloxymethyl)anthracene
CID 176781411
1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol
CID 168924242
1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene
CID 139792803
2-(1-benzofuran-6-yl)-3-methylbutanenitrile
CID 54066355
N-propan-2-yl-6-(propan-2-yloxymethyl)naphthalen-2-amine
CID 164783421
4-(1-benzofuran-6-yl)butan-1-ol
CID 173058838
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
2-(1-benzofuran-6-yl)ethyl carbamate
CID 151771491
2-methyl-5-(propan-2-yloxymethyl)phenol
CID 117222042
1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine
CID 83883412
3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924123

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-yloxymethyl)-1-benzofuran?
The IUPAC name of 6-(propan-2-yloxymethyl)-1-benzofuran (CID 171518537) is 6-(propan-2-yloxymethyl)-1-benzofuran.
What is the SMILES notation for 6-(propan-2-yloxymethyl)-1-benzofuran?
The canonical SMILES for 6-(propan-2-yloxymethyl)-1-benzofuran is CC(C)OCc1ccc2ccoc2c1.
What is the InChIKey of 6-(propan-2-yloxymethyl)-1-benzofuran?
The InChIKey is NIXFWJZMAGBZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(2)14-8-10-3-4-11-5-6-13-12(11)7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 6-(propan-2-yloxymethyl)-1-benzofuran?
6-(propan-2-yloxymethyl)-1-benzofuran has a molecular weight of 190.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-yloxymethyl)-1-benzofuran is sourced from PubChem (CID 171518537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).