2-(3-methyl-1-benzofuran-6-yl)propan-2-ol

C12H14O2 — CID 117204962

IUPAC2-(3-methyl-1-benzofuran-6-yl)propan-2-ol
SMILESCc1coc2cc(C(C)(C)O)ccc12
InChIInChI=1S/C12H14O2/c1-8-7-14-11-6-9(12(2,3)13)4-5-10(8)11/h4-7,13H,1-3H3
InChIKeyQZLGZHFJWWMWNC-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.97
Rot. Bonds1

About 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol

2-(3-methyl-1-benzofuran-6-yl)propan-2-ol (PubChem CID 117204962) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methyl-1-benzofuran-6-yl)propan-2-ol
PubChem CID117204962
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(3-methyl-1-benzofuran-6-yl)propan-2-ol
SMILESCc1coc2cc(C(C)(C)O)ccc12
InChIInChI=1S/C12H14O2/c1-8-7-14-11-6-9(12(2,3)13)4-5-10(8)11/h4-7,13H,1-3H3
InChIKeyQZLGZHFJWWMWNC-UHFFFAOYSA-N
XLogP2.97
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol?
The IUPAC name of 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol (CID 117204962) is 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol.
What is the SMILES notation for 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol?
The canonical SMILES for 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol is Cc1coc2cc(C(C)(C)O)ccc12.
What is the InChIKey of 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol?
The InChIKey is QZLGZHFJWWMWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-7-14-11-6-9(12(2,3)13)4-5-10(8)11/h4-7,13H,1-3H3.
What are the key properties of 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol?
2-(3-methyl-1-benzofuran-6-yl)propan-2-ol has a molecular weight of 190.24 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-benzofuran-6-yl)propan-2-ol is sourced from PubChem (CID 117204962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).