1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol

C15H18O2 — CID 79332367

IUPAC1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H18O2/c1-3-4-12-9-15(12,16)14-8-11-7-10(2)5-6-13(11)17-14/h5-8,12,16H,3-4,9H2,1-2H3
InChIKeyBYPVTWBXDFBKKJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.75
Rot. Bonds3

About 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol

1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol (PubChem CID 79332367) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol
PubChem CID79332367
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H18O2/c1-3-4-12-9-15(12,16)14-8-11-7-10(2)5-6-13(11)17-14/h5-8,12,16H,3-4,9H2,1-2H3
InChIKeyBYPVTWBXDFBKKJ-UHFFFAOYSA-N
XLogP3.75
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol (CID 79332367) is 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol is CCCC1CC1(O)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol?
The InChIKey is BYPVTWBXDFBKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-4-12-9-15(12,16)14-8-11-7-10(2)5-6-13(11)17-14/h5-8,12,16H,3-4,9H2,1-2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol?
1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol is sourced from PubChem (CID 79332367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).