2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol

C13H18O2 — CID 117203213

IUPAC2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
SMILESCC1Cc2cc(CC(C)(C)O)ccc2O1
InChIInChI=1S/C13H18O2/c1-9-6-11-7-10(8-13(2,3)14)4-5-12(11)15-9/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyVXLCNNHTRHAIPI-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.32
Rot. Bonds2

About 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol

2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol (PubChem CID 117203213) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
PubChem CID117203213
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
SMILESCC1Cc2cc(CC(C)(C)O)ccc2O1
InChIInChI=1S/C13H18O2/c1-9-6-11-7-10(8-13(2,3)14)4-5-12(11)15-9/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyVXLCNNHTRHAIPI-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
CID 124930456
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
(2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran
CID 163577350
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanenitrile
CID 84770407
3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 79837439
1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
CID 105471600
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 103109579
(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 104868177
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol (CID 117203213) is 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol is CC1Cc2cc(CC(C)(C)O)ccc2O1.
What is the InChIKey of 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol?
The InChIKey is VXLCNNHTRHAIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-6-11-7-10(8-13(2,3)14)4-5-12(11)15-9/h4-5,7,9,14H,6,8H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol?
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol has a molecular weight of 206.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol is sourced from PubChem (CID 117203213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).