2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol

C14H18O2 — CID 117311196

IUPAC2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol
SMILESCc1oc2c(C(C)(C)CO)cccc2c1C
InChIInChI=1S/C14H18O2/c1-9-10(2)16-13-11(9)6-5-7-12(13)14(3,4)8-15/h5-7,15H,8H2,1-4H3
InChIKeyXREFBEMNHSSEQK-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.32
Rot. Bonds2

About 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol

2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol (PubChem CID 117311196) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol
PubChem CID117311196
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol
SMILESCc1oc2c(C(C)(C)CO)cccc2c1C
InChIInChI=1S/C14H18O2/c1-9-10(2)16-13-11(9)6-5-7-12(13)14(3,4)8-15/h5-7,15H,8H2,1-4H3
InChIKeyXREFBEMNHSSEQK-UHFFFAOYSA-N
XLogP3.32
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol (CID 117311196) is 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol is Cc1oc2c(C(C)(C)CO)cccc2c1C.
What is the InChIKey of 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol?
The InChIKey is XREFBEMNHSSEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-10(2)16-13-11(9)6-5-7-12(13)14(3,4)8-15/h5-7,15H,8H2,1-4H3.
What are the key properties of 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol?
2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1-benzofuran-7-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117311196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).