2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol

C13H16O2 — CID 117292656

IUPAC2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol
SMILESCc1coc2cccc(C(C)(C)CO)c12
InChIInChI=1S/C13H16O2/c1-9-7-15-11-6-4-5-10(12(9)11)13(2,3)8-14/h4-7,14H,8H2,1-3H3
InChIKeyFBCPXARFJHRVRL-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.01
Rot. Bonds2

About 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol

2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol (PubChem CID 117292656) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol
PubChem CID117292656
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol
SMILESCc1coc2cccc(C(C)(C)CO)c12
InChIInChI=1S/C13H16O2/c1-9-7-15-11-6-4-5-10(12(9)11)13(2,3)8-14/h4-7,14H,8H2,1-3H3
InChIKeyFBCPXARFJHRVRL-UHFFFAOYSA-N
XLogP3.01
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol (CID 117292656) is 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol is Cc1coc2cccc(C(C)(C)CO)c12.
What is the InChIKey of 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol?
The InChIKey is FBCPXARFJHRVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-7-15-11-6-4-5-10(12(9)11)13(2,3)8-14/h4-7,14H,8H2,1-3H3.
What are the key properties of 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol?
2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol is sourced from PubChem (CID 117292656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).