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

C13H18O2 — CID 117198214

IUPAC2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol
SMILESCc1cccc2c1CC(CC(C)(C)O)O2
InChIInChI=1S/C13H18O2/c1-9-5-4-6-12-11(9)7-10(15-12)8-13(2,3)14/h4-6,10,14H,7-8H2,1-3H3
InChIKeyFDZOLLWIGLPQFY-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.46
Rot. Bonds2

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

2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol (PubChem CID 117198214) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol
PubChem CID117198214
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol
SMILESCc1cccc2c1CC(CC(C)(C)O)O2
InChIInChI=1S/C13H18O2/c1-9-5-4-6-12-11(9)7-10(15-12)8-13(2,3)14/h4-6,10,14H,7-8H2,1-3H3
InChIKeyFDZOLLWIGLPQFY-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244647
4-methyl-2-propyl-2,3-dihydro-1-benzofuran
CID 141132371
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117198293
2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
CID 117200556
5-methyl-3,4-dihydro-2H-chromen-3-ol
CID 89155402
2-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117198906
1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one
CID 117198387
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
(2-ethyl-2,3-dihydro-1-benzofuran-4-yl) trifluoromethanesulfonate
CID 87222834
2-(2,2,3,3,4,4,4-heptafluorobutyl)-2,3-dihydro-1-benzofuran-4-carbaldehyde
CID 132821338
2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
CID 117199454
1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
CID 117199656

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol (CID 117198214) is 2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol is Cc1cccc2c1CC(CC(C)(C)O)O2.
What is the InChIKey of 2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol?
The InChIKey is FDZOLLWIGLPQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-5-4-6-12-11(9)7-10(15-12)8-13(2,3)14/h4-6,10,14H,7-8H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol?
2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol has a molecular weight of 206.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol is sourced from PubChem (CID 117198214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).