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

C12H14O2 — CID 117122380

IUPAC2-(6-methyl-1-benzofuran-2-yl)propan-2-ol
SMILESCc1ccc2cc(C(C)(C)O)oc2c1
InChIInChI=1S/C12H14O2/c1-8-4-5-9-7-11(12(2,3)13)14-10(9)6-8/h4-7,13H,1-3H3
InChIKeyXQUWYYNMCQYWSW-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.97
Rot. Bonds1

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

2-(6-methyl-1-benzofuran-2-yl)propan-2-ol (PubChem CID 117122380) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-2-yl)propan-2-ol
PubChem CID117122380
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(6-methyl-1-benzofuran-2-yl)propan-2-ol
SMILESCc1ccc2cc(C(C)(C)O)oc2c1
InChIInChI=1S/C12H14O2/c1-8-4-5-9-7-11(12(2,3)13)14-10(9)6-8/h4-7,13H,1-3H3
InChIKeyXQUWYYNMCQYWSW-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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Related Compounds

2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114735149
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol
CID 101417419
2-(1,1-difluoroethyl)-1-benzofuran-6-ol
CID 84668031
2-ethenyl-6-methyl-1-benzofuran
CID 142567600
1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114795009
2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-one
CID 165451445
4-[1-hydroxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]benzonitrile
CID 114724520
(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 165455132
1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
CID 114722955
1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
CID 114723249
6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-2-yl)propan-2-ol?
The IUPAC name of 2-(6-methyl-1-benzofuran-2-yl)propan-2-ol (CID 117122380) is 2-(6-methyl-1-benzofuran-2-yl)propan-2-ol.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-2-yl)propan-2-ol?
The canonical SMILES for 2-(6-methyl-1-benzofuran-2-yl)propan-2-ol is Cc1ccc2cc(C(C)(C)O)oc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-2-yl)propan-2-ol?
The InChIKey is XQUWYYNMCQYWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-4-5-9-7-11(12(2,3)13)14-10(9)6-8/h4-7,13H,1-3H3.
What are the key properties of 2-(6-methyl-1-benzofuran-2-yl)propan-2-ol?
2-(6-methyl-1-benzofuran-2-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-(6-methyl-1-benzofuran-2-yl)propan-2-ol is sourced from PubChem (CID 117122380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).