1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol

C14H16O2 — CID 117308163

IUPAC1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol
SMILESCc1oc2cc(CC3(O)CC3)ccc2c1C
InChIInChI=1S/C14H16O2/c1-9-10(2)16-13-7-11(3-4-12(9)13)8-14(15)5-6-14/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyOSZQABNGMBMBHU-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.12
Rot. Bonds2

About 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol

1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol (PubChem CID 117308163) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol
PubChem CID117308163
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol
SMILESCc1oc2cc(CC3(O)CC3)ccc2c1C
InChIInChI=1S/C14H16O2/c1-9-10(2)16-13-7-11(3-4-12(9)13)8-14(15)5-6-14/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyOSZQABNGMBMBHU-UHFFFAOYSA-N
XLogP3.12
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol (CID 117308163) is 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol is Cc1oc2cc(CC3(O)CC3)ccc2c1C.
What is the InChIKey of 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol?
The InChIKey is OSZQABNGMBMBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-10(2)16-13-7-11(3-4-12(9)13)8-14(15)5-6-14/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol?
1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117308163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).